data_[Cr8P6]
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 [P1]
_cell_length_a [6.1442]
_cell_length_b [17.8033]
_cell_length_c [17.8033]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cr4P3]
_chemical_formula_sum '[Cr8 P6]'
_cell_volume [1686.5356]
_cell_formula_units_Z [2]
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  1  0.0414  0.4997  0.5866  1
  Cr  Cr1  1  0.0435  0.4108  0.4276  1
  Cr  Cr2  1  0.1154  0.5786  0.5307  1
  Cr  Cr3  1  0.3508  0.4982  0.4110  1
  Cr  Cr4  1  0.3862  0.4438  0.4973  1
  Cr  Cr5  1  0.4800  0.5981  0.6282  1
  Cr  Cr6  1  0.6758  0.4071  0.3734  1
  Cr  Cr7  1  0.7107  0.5416  0.5006  1
  P  P8  1  0.3356  0.3412  0.3439  1
  P  P9  1  0.3504  0.4876  0.6462  1
  P  P10  1  0.4378  0.6399  0.5204  1
  P  P11  1  0.7496  0.4086  0.5069  1
  P  P12  1  0.8626  0.6328  0.6398  1
  P  P13  1  0.9602  0.5119  0.3874  1
]