data_TaInTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.76
_cell_length_b   10.76
_cell_length_c   10.76
_cell_angle_alpha   18.13
_cell_angle_beta   18.13
_cell_angle_gamma   18.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInTe2
_chemical_formula_sum   'Ta1 In1 Te2'
_cell_volume   105.3
_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  Ta1  1  0.0  0.0  0.94  1.0
  In  In0  1  0.0  0.0  0.26  1.0
  Te  Te2  1  0.0  0.0  0.04  1.0
  Te  Te3  1  0.0  0.0  0.1  1.0

data_TaInTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.87
_cell_length_b   3.39
_cell_length_c   10.76
_cell_angle_alpha   90.0
_cell_angle_beta   100.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaInTe2
_chemical_formula_sum   'Ta2 In2 Te4'
_cell_volume   210.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.06  1.0
  In  In1  2  0.0  0.0  0.74  1.0
  Te  Te2  2  0.0  0.0  0.9  1.0
  Te  Te3  2  0.0  0.0  0.96  1.0

Ta In Te Te