data_LaBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaBi
_chemical_formula_sum   'La2 Bi2'
_cell_volume   181.42
_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  0.82  0.63  0.93  1.0
  La  La3  1  0.0  0.26  0.64  1.0
  Bi  Bi0  1  0.82  0.63  0.64  1.0
  Bi  Bi1  1  0.0  0.26  0.93  1.0

data_LaBi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   LaBi
_chemical_formula_sum   'La2 Bi2'
_cell_volume   181.42
_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  0.41  0.19  0.64  1.0
  Bi  Bi1  2  0.41  0.19  0.36  1.0

La La Bi Bi
La La Bi Bi 0 2 o o o 1 3 o o o 