data_[Cd2Cu2P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.9416]
_cell_length_b [8.6457]
_cell_length_c [4.5982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2120]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CdCuP2O7]
_chemical_formula_sum '[Cd2 Cu2 P4 O14]'
_cell_volume [264.9914]
_cell_formula_units_Z [2]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Cd  Cd0  2  0.0000  0.2979  0.5000  1.0
  Cu  Cu1  2  0.0000  0.6834  0.5000  1.0
  P  P2  4  0.2035  0.9956  0.9102  1.0
  O  O3  4  0.1287  0.5001  0.7865  1.0
  O  O4  4  0.1918  0.8365  0.7574  1.0
  O  O5  4  0.2285  0.1283  0.7060  1.0
  O  O6  2  0.0000  0.0324  0.0000  1.0
]