data_[Bi2Sb2As2]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2652]
_cell_length_b [4.5033]
_cell_length_c [9.8499]
_cell_angle_alpha [96.3366]
_cell_angle_beta [101.1227]
_cell_angle_gamma [90.9437]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BiSbAs]
_chemical_formula_sum '[Bi2 Sb2 As2]'
_cell_volume [184.3683]
_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
[
  Bi  Bi0  2  0.0825  0.5603  0.6613  1.0
  Sb  Sb1  2  0.2568  0.7856  0.0212  1.0
  As  As2  2  0.4038  0.8477  0.3037  1.0
]