data_[Cr8P12O52]
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 [P2_1/c]
_cell_length_a [6.1865]
_cell_length_b [21.6442]
_cell_length_c [8.5037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8542]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cr2P3O13]
_chemical_formula_sum '[Cr8 P12 O52]'
_cell_volume [922.8891]
_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  0.2567  0.2091  0.0389  1
  Cr  Cr1  4  0.4479  0.5616  0.7192  1
  P  P2  4  0.0194  0.6002  0.7940  1
  P  P3  4  0.3602  0.7030  0.5875  1
  P  P4  4  0.4568  0.0834  0.3454  1
  O  O5  4  0.0566  0.1649  0.7963  1
  O  O6  4  0.0578  0.7123  0.4647  1
  O  O7  4  0.1342  0.5583  0.7138  1
  O  O8  4  0.2053  0.0655  0.7194  1
  O  O9  4  0.2057  0.2254  0.4434  1
  O  O10  4  0.2429  0.6122  0.0189  1
  O  O11  4  0.2874  0.5586  0.4915  1
  O  O12  4  0.3049  0.1248  0.1699  1
  O  O13  4  0.3538  0.0746  0.4664  1
  O  O14  4  0.4315  0.6892  0.4442  1
  O  O15  4  0.4474  0.6491  0.7347  1
  O  O16  4  0.4854  0.2380  0.2970  1
  O  O17  4  0.4975  0.5200  0.2207  1
]