data_BiB2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31
_cell_length_b   8.31
_cell_length_c   3.08
_cell_angle_alpha   95.21
_cell_angle_beta   95.21
_cell_angle_gamma   21.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2As
_chemical_formula_sum   'Bi1 B2 As1'
_cell_volume   78.05
_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  Bi3  1  0.7  0.0  0.57  1.0
  B  B1  1  0.32  0.0  0.06  1.0
  B  B2  1  0.97  0.0  0.09  1.0
  As  As0  1  0.09  0.0  0.88  1.0

data_BiB2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   3.12
_cell_length_c   8.31
_cell_angle_alpha   100.81
_cell_angle_beta   95.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiB2As
_chemical_formula_sum   'Bi1 B2 As1'
_cell_volume   78.05
_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  0.43  0.0  0.3  1.0
  B  B1  1  0.91  0.0  0.03  1.0
  B  B2  1  0.94  0.0  0.68  1.0
  As  As3  1  0.12  0.0  0.91  1.0

Bi B B As