data_[Mo2Ir8Os2]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7738]
_cell_length_b [4.1201]
_cell_length_c [7.4039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9169]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MoIr4Os]
_chemical_formula_sum '[Mo2 Ir8 Os2]'
_cell_volume [207.5726]
_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  0.0000  0.0000  0.5000  1
  Ir  Ir1  4  0.2352  0.5000  0.1139  1
  Ir  Ir2  4  0.2394  0.5000  0.6208  1
  Os  Os3  2  0.0000  0.0000  0.0000  1
]