data_GaBi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   145.35
_cell_angle_beta   132.46
_cell_angle_gamma   60.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBi2As
_chemical_formula_sum   'Ga1 Bi2 As1'
_cell_volume   103.17
_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
  Ga  Ga3  1  0.0  0.0  0.93  1.0
  Bi  Bi1  1  0.0  0.0  0.5  1.0
  Bi  Bi2  1  0.87  0.0  0.78  1.0
  As  As0  1  0.0  0.53  0.54  1.0

data_GaBi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   5.07
_cell_length_c   6.29
_cell_angle_alpha   113.77
_cell_angle_beta   107.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBi2As
_chemical_formula_sum   'Ga1 Bi2 As1'
_cell_volume   103.17
_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
  Ga  Ga0  1  0.07  0.07  0.07  1.0
  Bi  Bi1  1  0.09  0.22  0.09  1.0
  Bi  Bi2  1  0.5  0.5  0.5  1.0
  As  As3  1  0.46  0.99  0.99  1.0

Ga Bi Bi As