data_La2TaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.33
_cell_length_b   11.33
_cell_length_c   11.33
_cell_angle_alpha   17.53
_cell_angle_beta   17.53
_cell_angle_gamma   17.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaBi
_chemical_formula_sum   'La2 Ta1 Bi1'
_cell_volume   115.11
_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  0.55  1.0
  La  La2  1  0.0  0.0  0.9  1.0
  Ta  Ta3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.73  1.0

data_La2TaBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.98
_cell_length_b   3.45
_cell_length_c   11.33
_cell_angle_alpha   90.0
_cell_angle_beta   100.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TaBi
_chemical_formula_sum   'La4 Ta2 Bi2'
_cell_volume   230.21
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.1  1.0
  La  La1  2  0.0  0.0  0.45  1.0
  Ta  Ta2  2  0.0  0.0  0.0  1.0
  Bi  Bi3  2  0.0  0.0  0.27  1.0

La La Ta Bi