data_TaIn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   131.49
_cell_angle_beta   131.49
_cell_angle_gamma   71.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Te
_chemical_formula_sum   'Ta1 In2 Te1'
_cell_volume   100.69
_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
  Ta  Ta2  1  0.33  0.0  0.31  1.0
  In  In0  1  0.0  0.33  0.31  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.62  1.0

data_TaIn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   5.68
_cell_angle_alpha   114.26
_cell_angle_beta   114.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Te
_chemical_formula_sum   'Ta1 In2 Te1'
_cell_volume   100.69
_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
  Ta  Ta0  1  0.69  0.0  0.02  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  In  In2  1  0.02  0.33  0.02  1.0
  Te  Te3  1  0.38  0.0  0.38  1.0

Ta In In Te