data_[Bi6P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_12_12]
_cell_length_a [4.5932]
_cell_length_b [11.8190]
_cell_length_c [19.9439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [18]
_chemical_formula_structural [BiP]
_chemical_formula_sum '[Bi6 P6]'
_cell_volume [1082.6827]
_cell_formula_units_Z [6]
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
[
  Bi  Bi0  4  0.2398  0.2577  0.9124  1
  Bi  Bi1  2  0.0000  0.0000  0.8761  1
  P  P2  4  0.1912  0.6330  0.9797  1
  P  P3  2  0.0000  0.5000  0.0450  1
]