data_[In4Te2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6124]
_cell_length_b [3.5766]
_cell_length_c [6.3594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4261]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In2TeIr]
_chemical_formula_sum '[In4 Te2 Ir2]'
_cell_volume [202.0987]
_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
[
  In  In0  2  0.3073  0.5000  0.3561  1
  In  In1  2  0.4983  0.5000  0.0389  1
  Te  Te2  2  0.1605  0.0000  0.7166  1
  Ir  Ir3  2  0.0339  0.5000  0.3884  1
]