data_AlGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   131.85
_cell_angle_beta   131.85
_cell_angle_gamma   70.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaBi2
_chemical_formula_sum   'Al1 Ga1 Bi2'
_cell_volume   105.37
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.36  0.36  1.0
  Bi  Bi1  1  0.36  0.0  0.36  1.0
  Bi  Bi2  1  0.0  0.0  0.73  1.0

data_AlGaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   5.79
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaBi2
_chemical_formula_sum   'Al1 Ga1 Bi2'
_cell_volume   105.37
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.36  0.0  1.0
  Bi  Bi2  1  0.36  0.0  0.0  1.0
  Bi  Bi3  1  0.73  0.73  0.73  1.0

Al Ga Bi Bi
Al Ga Bi Bi 0 1 o o o 0 3 o o - 0 2 o o o 