data_LaGaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   145.96
_cell_angle_beta   141.04
_cell_angle_gamma   52.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaBi
_chemical_formula_sum   'La1 Ga1 Bi1'
_cell_volume   83.73
_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  La2  1  0.0  0.0  0.5  1.0
  Ga  Ga1  1  0.0  0.0  0.86  1.0
  Bi  Bi0  1  0.0  0.0  0.9  1.0

data_LaGaBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.14
_cell_length_c   6.21
_cell_angle_alpha   109.48
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaGaBi
_chemical_formula_sum   'La1 Ga1 Bi1'
_cell_volume   83.73
_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  0.5  0.5  0.5  1.0
  Ga  Ga1  1  0.14  0.14  0.14  1.0
  Bi  Bi2  1  0.1  0.1  0.1  1.0

La Ga Bi