data_[Cr4Ni4P8O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.7210]
_cell_length_b [6.3130]
_cell_length_c [7.8594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CrNiP2O9]
_chemical_formula_sum '[Cr4 Ni4 P8 O36]'
_cell_volume [680.7760]
_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  0.1168  0.2500  0.1480  1
  Ni  Ni1  4  0.0000  0.0000  0.5000  1
  P  P2  4  0.0604  0.7500  0.1552  1
  P  P3  4  0.1908  0.7500  0.6102  1
  O  O4  8  0.1255  0.5538  0.1336  1
  O  O5  8  0.1290  0.5489  0.6008  1
  O  O6  4  0.0189  0.7500  0.3400  1
  O  O7  4  0.0227  0.2500  0.9771  1
  O  O8  4  0.0547  0.2500  0.3363  1
  O  O9  4  0.2251  0.2500  0.9750  1
  O  O10  4  0.2433  0.2500  0.2734  1
]