data_BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   147.29
_cell_angle_beta   131.81
_cell_angle_gamma   59.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiAs
_chemical_formula_sum   'Bi2 As2'
_cell_volume   103.5
_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  0.0  0.9  0.09  1.0
  Bi  Bi3  1  0.8  0.7  0.45  1.0
  As  As0  1  0.8  0.3  0.82  1.0
  As  As1  1  0.0  0.3  0.71  1.0

data_BiAs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.59
_cell_length_b   5.21
_cell_length_c   6.38
_cell_angle_alpha   114.09
_cell_angle_beta   106.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BiAs
_chemical_formula_sum   'Bi2 As2'
_cell_volume   103.5
_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  0.1  0.28  0.88  1.0
  As  As1  2  0.5  0.05  0.66  1.0

Bi Bi As As