data_TaInTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24
_cell_length_b   10.24
_cell_length_c   10.24
_cell_angle_alpha   20.28
_cell_angle_beta   20.28
_cell_angle_gamma   20.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaInTe2
_chemical_formula_sum   'Ta1 In1 Te2'
_cell_volume   112.67
_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  0.03  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.17  1.0
  Te  Te3  1  0.0  0.0  0.89  1.0

data_TaInTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.24
_cell_length_b   3.6
_cell_length_c   10.24
_cell_angle_alpha   90.0
_cell_angle_beta   101.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaInTe2
_chemical_formula_sum   'Ta2 In2 Te4'
_cell_volume   225.34
_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  0.97  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  -0.0  0.0  0.83  1.0
  Te  Te3  2  -0.0  0.0  0.11  1.0

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