data_TeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeIr3
_chemical_formula_sum   'Te4 Ir12'
_cell_volume   260.42
_cell_formula_units_Z   4
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
  Te  Te12  1  0.0  0.0  0.65  1.0
  Te  Te13  1  0.0  0.0  0.0  1.0
  Te  Te14  1  0.84  0.64  0.98  1.0
  Te  Te15  1  0.0  0.28  0.33  1.0
  Ir  Ir0  1  0.58  0.46  0.65  1.0
  Ir  Ir1  1  0.58  0.46  0.0  1.0
  Ir  Ir2  1  0.42  0.46  0.65  1.0
  Ir  Ir3  1  0.84  0.0  0.65  1.0
  Ir  Ir4  1  0.84  0.0  0.0  1.0
  Ir  Ir5  1  0.42  0.46  0.0  1.0
  Ir  Ir6  1  0.36  0.06  0.98  1.0
  Ir  Ir7  1  0.49  0.86  0.33  1.0
  Ir  Ir8  1  0.64  0.06  0.98  1.0
  Ir  Ir9  1  0.0  0.72  0.98  1.0
  Ir  Ir10  1  0.84  0.21  0.33  1.0
  Ir  Ir11  1  0.2  0.86  0.33  1.0

data_TeIr3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   9.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeIr3
_chemical_formula_sum   'Te4 Ir12'
_cell_volume   260.42
_cell_formula_units_Z   4
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
  Te  Te0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.65  1.0
  Te  Te2  1  0.0  0.28  0.33  1.0
  Te  Te3  1  0.84  0.64  0.98  1.0
  Ir  Ir4  1  0.0  0.72  0.98  1.0
  Ir  Ir5  1  0.2  0.86  0.33  1.0
  Ir  Ir6  1  0.36  0.06  0.98  1.0
  Ir  Ir7  1  0.42  0.46  0.0  1.0
  Ir  Ir8  1  0.42  0.46  0.65  1.0
  Ir  Ir9  1  0.49  0.86  0.33  1.0
  Ir  Ir10  1  0.58  0.46  0.0  1.0
  Ir  Ir11  1  0.58  0.46  0.65  1.0
  Ir  Ir12  1  0.64  0.06  0.98  1.0
  Ir  Ir13  1  0.84  0.0  0.0  1.0
  Ir  Ir14  1  0.84  0.0  0.65  1.0
  Ir  Ir15  1  0.84  0.21  0.33  1.0

Te Te Te Te Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir Ir