data_[In4Mo2Ir2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Mo  2.1600  1.4500  0.7750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.6542]
_cell_length_b [2.9467]
_cell_length_c [5.0007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In2MoIr]
_chemical_formula_sum '[In4 Mo2 Ir2]'
_cell_volume [146.0991]
_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  0.0181  0.0000  0.0709  1
  In  In1  2  0.2303  0.0000  0.6752  1
  Mo  Mo2  2  0.2742  0.5000  0.1959  1
  Ir  Ir3  2  0.4774  0.0000  0.5580  1
]