data_[Te2Ir1]
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 [Pm]
_cell_length_a [3.4676]
_cell_length_b [3.1078]
_cell_length_c [7.4228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Te2Ir]
_chemical_formula_sum '[Te2 Ir1]'
_cell_volume [79.9737]
_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  0.1742  0.5000  0.4819  1
  Te  Te1  1  0.6224  0.0000  0.0152  1
  Ir  Ir2  1  0.6897  0.0000  0.6606  1
]