data_LaGaBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   4.99
_cell_angle_alpha   112.77
_cell_angle_beta   112.77
_cell_angle_gamma   43.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaBi2
_chemical_formula_sum   'La1 Ga1 Bi2'
_cell_volume   115.87
_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
  La  La3  1  0.6  0.0  0.27  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.9  0.0  0.09  1.0
  Bi  Bi1  1  0.3  0.0  0.44  1.0

data_LaGaBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.99
_cell_length_c   6.08
_cell_angle_alpha   112.77
_cell_angle_beta   111.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaBi2
_chemical_formula_sum   'La1 Ga1 Bi2'
_cell_volume   115.87
_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
  La  La0  1  0.0  0.27  0.6  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.09  0.9  1.0
  Bi  Bi3  1  0.0  0.44  0.3  1.0

La Ga Bi Bi
La Ga Bi Bi 0 3 o o o 0 2 o o o 1 2 - o o 1 3 o o o 2 3 + o o 