data_[Ir6Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.4172]
_cell_length_b [5.5145]
_cell_length_c [4.7725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ir3Os]
_chemical_formula_sum '[Ir6 Os2]'
_cell_volume [116.2533]
_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
[
  Ir  Ir0  4  0.0000  0.2480  0.8340  1.0
  Os  Os1  2  0.0000  0.0000  0.3298  1.0
  Ir  Ir2  2  0.0000  0.5000  0.3392  1.0
]