data_[Mo2Ir10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0834]
_cell_length_b [2.7699]
_cell_length_c [6.5205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MoIr5]
_chemical_formula_sum '[Mo2 Ir10]'
_cell_volume [176.6232]
_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
[
  Mo  Mo0  2  0.2219  0.5000  0.9460  1.0
  Ir  Ir1  2  0.0002  0.0000  0.9987  1.0
  Ir  Ir2  2  0.0584  0.0000  0.6164  1.0
  Ir  Ir3  2  0.1676  0.5000  0.3330  1.0
  Ir  Ir4  2  0.3322  0.0000  0.6677  1.0
  Ir  Ir5  2  0.3864  0.0000  0.2714  1.0
]