data_La2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93
_cell_length_b   8.93
_cell_length_c   11.56
_cell_angle_alpha   126.93
_cell_angle_beta   126.93
_cell_angle_gamma   30.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Bi
_chemical_formula_sum   'La4 Bi2'
_cell_volume   366.74
_cell_formula_units_Z   2
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  0.19  0.0  0.23  1.0
  La  La3  1  0.88  0.0  0.33  1.0
  La  La4  1  0.15  0.0  0.72  1.0
  La  La5  1  0.85  0.0  0.81  1.0
  Bi  Bi0  1  0.02  0.0  0.05  1.0
  Bi  Bi1  1  0.01  0.0  1.0  1.0

data_La2Bi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.7
_cell_length_b   8.93
_cell_length_c   9.45
_cell_angle_alpha   77.88
_cell_angle_beta   75.6
_cell_angle_gamma   74.73
_symmetry_Int_Tables_number   2
_chemical_formula_structural   La2Bi
_chemical_formula_sum   'La4 Bi2'
_cell_volume   366.74
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.06  0.31  1.0
  La  La1  2  0.0  0.46  0.21  1.0
  Bi  Bi2  2  0.0  0.48  0.03  1.0

La La La La Bi Bi
La La La La Bi Bi 0 4 o o o 0 1 - o o 1 4 + o o 1 2 + o o 2 5 o o o 2 3 - o o 3 5 + o o 4 5 o o - 