data_La2TaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   5.15
_cell_angle_alpha   111.57
_cell_angle_beta   111.57
_cell_angle_gamma   33.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaTe
_chemical_formula_sum   'La2 Ta1 Te1'
_cell_volume   112.63
_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  0.61  0.0  0.02  1.0
  La  La1  1  0.43  0.0  0.44  1.0
  Ta  Ta2  1  0.11  0.0  0.31  1.0
  Te  Te3  1  0.47  0.0  0.37  1.0

data_La2TaTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.15
_cell_length_c   6.59
_cell_angle_alpha   111.57
_cell_angle_beta   106.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TaTe
_chemical_formula_sum   'La2 Ta1 Te1'
_cell_volume   112.63
_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  0.02  0.61  1.0
  La  La1  1  0.0  0.44  0.43  1.0
  Ta  Ta2  1  0.0  0.31  0.11  1.0
  Te  Te3  1  0.0  0.37  0.47  1.0

La La Ta Te
La La Ta Te 0 1 o o - 0 1 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 