data_1200003
_chemical_formula_sum          'Cu2 P2 O7'
_symmetry_cell_setting         monoclinic
_symmetry_Int_Tables_number    15
_symmetry_space_group_name_H-M 'C 2/c'
_cell_angle_alpha              90.0
_cell_angle_beta               109.3000
_cell_angle_gamma              90.0
_cell_length_a                 6.85128
_cell_length_b                 8.11775
_cell_length_c                 9.15352
_cell_volume                   480.4807
_pd_block_id
2002-07-08|PHASE_03|..creator_name..|..instr_name..
_pd_phase_name                 Cu2P2O7
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z+1/2
loop_
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_thermal_displace_type
_atom_site_B_iso_or_equiv
_atom_site_type_symbol
Cu3 8 1.0 -0.02983 0.31894 0.51051 Biso 1.0 Cu2+
P31 8 1.0 0.19085 -0.00087 0.1965 Biso 1.0 P
O31 4 1.0 0.0 0.0466 0.25 Biso 1.0 O-
O32 8 1.0 0.3757 0.0002 0.3614 Biso 1.0 O-
O33 8 1.0 0.2208 0.1559 0.1128 Biso 1.0 O-
O34 8 1.0 0.1785 -0.1508 0.1179 Biso 1.0 O-