data_La2SiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   139.25
_cell_angle_beta   137.99
_cell_angle_gamma   59.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SiBi
_chemical_formula_sum   'La2 Si1 Bi1'
_cell_volume   117.36
_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  La1  1  0.0  0.0  0.01  1.0
  La  La2  1  0.25  0.0  0.87  1.0
  Si  Si3  1  0.0  0.0  0.61  1.0
  Bi  Bi0  1  0.0  0.32  0.73  1.0

data_La2SiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.64
_cell_length_c   6.47
_cell_angle_alpha   111.01
_cell_angle_beta   110.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SiBi
_chemical_formula_sum   'La2 Si1 Bi1'
_cell_volume   117.36
_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  0.01  0.01  1.0
  La  La1  1  0.0  0.87  0.61  1.0
  Si  Si2  1  0.0  0.61  0.61  1.0
  Bi  Bi3  1  0.68  0.41  0.41  1.0

La La Si Bi
La La Si Bi 0 2 o o - 0 1 o o - 1 2 o o o 2 3 o o o 