data_[Cr4P4O20]
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 [Cc]
_cell_length_a [6.8580]
_cell_length_b [7.6256]
_cell_length_c [7.4059]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7485]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [CrPO5]
_chemical_formula_sum '[Cr4 P4 O20]'
_cell_volume [357.1745]
_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  0.2256  0.2745  0.9708  1.0
  P  P1  4  0.0216  0.0747  0.2647  1.0
  O  O2  4  0.0437  0.3607  0.7898  1.0
  O  O3  4  0.0826  0.1984  0.1315  1.0
  O  O4  4  0.2167  0.0423  0.8789  1.0
  O  O5  4  0.3250  0.4603  0.1552  1.0
  O  O6  4  0.4679  0.3096  0.9111  1.0
]