data_[Te8Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8279]
_cell_length_b [4.0987]
_cell_length_c [7.0406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0334]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te4Ir3]
_chemical_formula_sum '[Te8 Ir6]'
_cell_volume [320.4735]
_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  Te0  4  0.1257  0.0000  0.4639  1
  Te  Te1  4  0.1332  0.5000  0.9764  1
  Ir  Ir2  4  0.2404  0.5000  0.7275  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
]