#------------------------------------------------------------------------------
#$Date: 2016-03-02 09:51:31 +0200 (Wed, 02 Mar 2016) $
#$Revision: 177123 $
#$URL: file:///home/coder/svn-repositories/cod/cif/5/91/01/5910110.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_5910110
_chemical_formula_structural     MoCl3
_chemical_formula_sum            'Cl3 Mo'
_chemical_name_systematic        'Molybdenum chloride'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_audit_creation_date             2005-04-11
_audit_creation_method
http://jcrystal.com/steffenweber/gallery/StructureTypes/st4.html
_audit_update_record
'created by Girish Upreti, Portland State University'
_cell_angle_alpha                90
_cell_angle_beta                 124.6
_cell_angle_gamma                90
_cell_length_a                   6.092
_cell_length_b                   9.745
_cell_length_c                   7.275
_cell_volume                     355.506
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Mo Cl3'
_cod_database_code               5910110
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_label
0.00000 0.14170 0.00000 Mo1
0.50200 0.17000 0.22300 Cl1
0.00800 0.00000 0.27400 Cl2