data_GaBiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54
_cell_length_b   6.54
_cell_length_c   6.54
_cell_angle_alpha   148.09
_cell_angle_beta   148.09
_cell_angle_gamma   45.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaBiSb
_chemical_formula_sum   'Ga1 Bi1 Sb1'
_cell_volume   77.79
_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  Ga1  1  0.0  0.0  0.9  1.0
  Bi  Bi0  1  0.0  0.0  0.88  1.0
  Sb  Sb2  1  0.0  0.0  0.31  1.0

data_GaBiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   112.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaBiSb
_chemical_formula_sum   'Ga2 Bi2 Sb2'
_cell_volume   155.58
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.4  0.5  0.9  1.0
  Bi  Bi1  2  0.38  0.5  0.88  1.0
  Sb  Sb2  2  0.31  0.0  0.31  1.0

Ga Bi Sb