data_[Sb2Ir2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [2.8308]
_cell_length_b [4.9699]
_cell_length_c [9.6021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [SbIrOs2]
_chemical_formula_sum '[Sb2 Ir2 Os4]'
_cell_volume [135.0905]
_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
[
  Sb  Sb0  2  0.0000  0.0000  0.5019  1
  Os  Os1  2  0.0000  0.0000  0.0035  1
  Os  Os2  2  0.0000  0.5000  0.2287  1
  Ir  Ir3  2  0.0000  0.5000  0.7659  1
]