data_[Bi1Sb3]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.4207]
_cell_length_b [6.3388]
_cell_length_c [4.7056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [BiSb3]
_chemical_formula_sum '[Bi1 Sb3]'
_cell_volume [131.8578]
_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
[
  Bi  Bi0  1  0.0000  0.0000  0.8734  1.0
  Sb  Sb1  1  0.0000  0.5000  0.7836  1.0
  Sb  Sb2  1  0.5000  0.0000  0.3013  1.0
  Sb  Sb3  1  0.5000  0.5000  0.3750  1.0
]