data_BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29
_cell_length_b   4.26
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs
_chemical_formula_sum   'Bi2 As2'
_cell_volume   110.36
_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  Bi2  1  0.99  0.2  0.55  1.0
  Bi  Bi3  1  0.26  0.07  0.48  1.0
  As  As0  1  0.23  0.2  0.56  1.0
  As  As1  1  0.02  0.07  0.47  1.0

data_BiAs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.26
_cell_length_b   4.29
_cell_length_c   6.03
_cell_angle_alpha   90.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BiAs
_chemical_formula_sum   'Bi2 As2'
_cell_volume   110.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.43  0.64  0.96  1.0
  As  As1  2  0.43  0.39  0.96  1.0

Bi Bi As As