data_[Cr8B6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  B  2.0400  0.8500  0.4100
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [2.9845]
_cell_length_b [2.9845]
_cell_length_c [20.3191]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Cr4B3P]
_chemical_formula_sum '[Cr8 B6 P2]'
_cell_volume [156.7417]
_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  4  0.0000  0.0000  0.1730  1
  Cr  Cr1  4  0.3333  0.6667  0.0581  1
  B  B2  4  0.3333  0.6667  0.6163  1
  B  B3  2  0.0000  0.0000  0.0000  1
  P  P4  2  0.3333  0.6667  0.2500  1
]