data_Te5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.14
_cell_length_b   7.14
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te5Ir
_chemical_formula_sum   'Te5 Ir1'
_cell_volume   171.19
_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
  Te  Te1  1  0.22  0.0  0.94  1.0
  Te  Te2  1  0.96  0.66  0.94  1.0
  Te  Te3  1  0.39  0.52  0.94  1.0
  Te  Te4  1  0.57  0.06  0.0  1.0
  Te  Te5  1  0.0  0.12  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0

data_Te5Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   7.14
_cell_length_c   7.14
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te5Ir
_chemical_formula_sum   'Te5 Ir1'
_cell_volume   171.19
_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
  Te  Te0  1  0.0  0.0  0.12  1.0
  Te  Te1  1  0.0  0.57  0.06  1.0
  Te  Te2  1  0.94  0.22  0.0  1.0
  Te  Te3  1  0.94  0.39  0.52  1.0
  Te  Te4  1  0.94  0.96  0.66  1.0
  Ir  Ir5  1  0.0  0.0  0.0  1.0

Te Te Te Te Te Ir