data_Te2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.3
_cell_length_b   11.3
_cell_length_c   11.3
_cell_angle_alpha   162.65
_cell_angle_beta   161.51
_cell_angle_gamma   25.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2Ir
_chemical_formula_sum   'Te4 Ir2'
_cell_volume   136.3
_cell_formula_units_Z   2
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  Te2  1  0.7  0.09  0.78  1.0
  Te  Te3  1  0.0  0.72  0.24  1.0
  Te  Te4  1  0.7  0.09  0.85  1.0
  Te  Te5  1  0.0  0.72  0.17  1.0
  Ir  Ir0  1  0.0  0.91  0.14  1.0
  Ir  Ir1  1  0.7  0.91  0.88  1.0

data_Te2Ir
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.41
_cell_length_b   3.63
_cell_length_c   11.3
_cell_angle_alpha   99.25
_cell_angle_beta   98.67
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Te2Ir
_chemical_formula_sum   'Te4 Ir2'
_cell_volume   136.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.18  0.35  0.2  1.0
  Te  Te1  2  0.18  0.42  0.27  1.0
  Ir  Ir2  2  0.0  0.13  0.99  1.0

Te Te Te Te Ir Ir
Te Te Te Te Ir Ir 0 2 o o o 1 3 o o o 4 5 - o - 