data_[Bi4Sb4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2527]
_cell_length_b [4.1940]
_cell_length_c [6.3429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BiSbP]
_chemical_formula_sum '[Bi4 Sb4 P4]'
_cell_volume [354.6169]
_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
[
  Bi  Bi0  4  0.1398  0.0000  0.8982  1
  Sb  Sb1  4  0.1733  0.0000  0.4395  1
  P  P2  4  0.0057  0.5000  0.8316  1
]