data_Te2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29
_cell_length_b   10.29
_cell_length_c   5.41
_cell_angle_alpha   90.38
_cell_angle_beta   90.38
_cell_angle_gamma   22.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Ir
_chemical_formula_sum   'Te6 Ir3'
_cell_volume   221.97
_cell_formula_units_Z   3
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  0.7  0.0  0.26  1.0
  Te  Te1  1  0.44  0.0  0.15  1.0
  Te  Te2  1  0.74  0.0  0.42  1.0
  Te  Te3  1  0.95  0.0  0.91  1.0
  Te  Te4  1  0.18  0.0  0.5  1.0
  Te  Te5  1  0.4  0.0  1.0  1.0
  Ir  Ir6  1  0.0  0.0  0.0  1.0
  Ir  Ir7  1  0.85  0.0  0.72  1.0
  Ir  Ir8  1  0.28  0.0  0.69  1.0

data_Te2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   5.41
_cell_length_c   10.29
_cell_angle_alpha   90.38
_cell_angle_beta   101.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Ir
_chemical_formula_sum   'Te6 Ir3'
_cell_volume   221.97
_cell_formula_units_Z   3
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  0.15  0.44  1.0
  Te  Te1  1  0.0  0.26  0.7  1.0
  Te  Te2  1  0.0  0.42  0.74  1.0
  Te  Te3  1  0.0  0.5  0.18  1.0
  Te  Te4  1  0.0  0.91  0.95  1.0
  Te  Te5  1  0.0  1.0  0.4  1.0
  Ir  Ir6  1  0.0  0.0  0.0  1.0
  Ir  Ir7  1  0.0  0.69  0.28  1.0
  Ir  Ir8  1  0.0  0.72  0.85  1.0

Te Te Te Te Te Te Ir Ir Ir