data_La2BTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BTe
_chemical_formula_sum   'La2 B1 Te1'
_cell_volume   101.35
_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  0.42  0.0  0.66  1.0
  La  La2  1  0.42  0.0  0.23  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.94  1.0

data_La2BTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   7.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2BTe
_chemical_formula_sum   'La2 B1 Te1'
_cell_volume   101.35
_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  0.42  0.0  0.23  1.0
  La  La1  1  0.42  0.0  0.66  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.94  1.0

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