data_[Cr8P4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5393]
_cell_length_b [8.0900]
_cell_length_c [7.1459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cr2PO5]
_chemical_formula_sum '[Cr8 P4 O20]'
_cell_volume [374.9086]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  4  0.0000  0.5000  0.0000  1.0
  Cr  Cr1  4  0.2500  0.2500  0.0000  1.0
  P  P2  4  0.0000  0.1032  0.2500  1.0
  O  O3  8  0.0560  0.2167  0.1154  1.0
  O  O4  8  0.1877  0.0133  0.8868  1.0
  O  O5  4  0.0000  0.3624  0.7500  1.0
]