data_BiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83
_cell_length_b   8.83
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs2
_chemical_formula_sum   'Bi3 As6'
_cell_volume   243.9
_cell_formula_units_Z   3
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  Bi6  1  0.0  0.1  0.8  1.0
  Bi  Bi7  1  0.42  0.55  0.8  1.0
  Bi  Bi8  1  0.0  0.0  0.0  1.0
  As  As0  1  0.54  0.0  0.8  1.0
  As  As1  1  0.73  0.2  0.8  1.0
  As  As2  1  0.15  0.45  0.8  1.0
  As  As3  1  0.4  0.0  0.0  1.0
  As  As4  1  0.8  0.81  0.0  1.0
  As  As5  1  0.22  0.84  0.0  1.0

data_BiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   8.83
_cell_length_c   8.83
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs2
_chemical_formula_sum   'Bi3 As6'
_cell_volume   243.9
_cell_formula_units_Z   3
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  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.8  0.0  0.1  1.0
  Bi  Bi2  1  0.8  0.42  0.55  1.0
  As  As3  1  0.0  0.4  0.0  1.0
  As  As4  1  0.0  0.22  0.84  1.0
  As  As5  1  0.0  0.8  0.81  1.0
  As  As6  1  0.8  0.15  0.45  1.0
  As  As7  1  0.8  0.54  0.0  1.0
  As  As8  1  0.8  0.73  0.2  1.0

Bi Bi Bi As As As As As As