data_La2BiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   7.95
_cell_angle_alpha   106.5
_cell_angle_beta   106.5
_cell_angle_gamma   58.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BiTe
_chemical_formula_sum   'La2 Bi1 Te1'
_cell_volume   140.65
_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  0.47  0.0  0.89  1.0
  La  La2  1  0.1  0.0  0.63  1.0
  Bi  Bi0  1  0.78  0.0  0.76  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_La2BiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.68
_cell_length_c   7.95
_cell_angle_alpha   106.5
_cell_angle_beta   90.0
_cell_angle_gamma   119.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BiTe
_chemical_formula_sum   'La2 Bi1 Te1'
_cell_volume   140.65
_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  0.53  0.11  1.0
  La  La1  1  0.0  0.9  0.37  1.0
  Bi  Bi2  1  0.0  0.22  0.24  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

La La Bi Te
La La Bi Te 0 1 o o o 0 2 o o o 0 3 + o + 1 2 - o o 2 3 + o + 