data_Ga2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.77
_cell_angle_alpha   107.39
_cell_angle_beta   107.39
_cell_angle_gamma   44.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BiAs
_chemical_formula_sum   'Ga2 Bi1 As1'
_cell_volume   93.27
_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  Ga2  1  0.03  0.0  0.4  1.0
  Ga  Ga3  1  0.42  0.0  0.37  1.0
  Bi  Bi1  1  0.95  0.0  0.99  1.0
  As  As0  1  0.47  0.0  0.43  1.0

data_Ga2BiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.93
_cell_length_c   5.77
_cell_angle_alpha   107.39
_cell_angle_beta   90.0
_cell_angle_gamma   112.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2BiAs
_chemical_formula_sum   'Ga2 Bi1 As1'
_cell_volume   93.27
_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  0.0  0.58  0.63  1.0
  Ga  Ga1  1  0.0  0.97  0.6  1.0
  Bi  Bi2  1  0.0  0.05  0.01  1.0
  As  As3  1  0.0  0.53  0.57  1.0

Ga Ga Bi As