data_TaTe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68
_cell_length_b   7.68
_cell_length_c   7.68
_cell_angle_alpha   152.1
_cell_angle_beta   150.67
_cell_angle_gamma   40.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTe2Ir
_chemical_formula_sum   'Ta1 Te2 Ir1'
_cell_volume   103.58
_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  0.76  1.0
  Te  Te2  1  0.0  0.94  0.99  1.0
  Te  Te3  1  0.0  0.0  0.52  1.0
  Ir  Ir0  1  0.85  0.0  0.52  1.0

data_TaTe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.89
_cell_length_c   7.68
_cell_angle_alpha   104.66
_cell_angle_beta   103.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTe2Ir
_chemical_formula_sum   'Ta1 Te2 Ir1'
_cell_volume   103.58
_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  0.0  0.76  0.76  1.0
  Te  Te1  1  0.0  0.52  0.52  1.0
  Te  Te2  1  0.06  0.05  0.05  1.0
  Ir  Ir3  1  0.0  0.52  0.66  1.0

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