data_LiTa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   3.17
_cell_angle_alpha   104.2
_cell_angle_beta   104.2
_cell_angle_gamma   123.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Te
_chemical_formula_sum   'Li1 Ta2 Te1'
_cell_volume   77.49
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.39  0.44  0.0  1.0
  Ta  Ta2  1  0.39  0.56  0.0  1.0
  Te  Te3  1  0.78  0.0  0.0  1.0

data_LiTa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.78
_cell_length_c   5.83
_cell_angle_alpha   113.07
_cell_angle_beta   104.2
_cell_angle_gamma   93.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTa2Te
_chemical_formula_sum   'Li1 Ta2 Te1'
_cell_volume   77.49
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.44  0.44  0.83  1.0
  Ta  Ta2  1  0.56  0.56  0.95  1.0
  Te  Te3  1  -0.0  0.0  0.78  1.0

Li Ta Ta Te