data_[Cr10P9]
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
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [8.4942]
_cell_length_b [8.4942]
_cell_length_c [18.6038]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cr10P9]
_chemical_formula_sum '[Cr10 P9]'
_cell_volume [1162.4575]
_cell_formula_units_Z [1]
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  6  0.1374  0.5918  0.4766  1
  Cr  Cr1  3  0.0000  0.2623  0.4277  1
  Cr  Cr2  1  0.0000  0.0000  0.5235  1
  P  P3  6  0.1604  0.3566  0.5450  1
  P  P4  2  0.3333  0.6667  0.5859  1
  P  P5  1  0.0000  0.0000  0.3921  1
]