data_[Cr4Ir8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2887]
_cell_length_b [5.4368]
_cell_length_c [9.3793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CrIr2Os]
_chemical_formula_sum '[Cr4 Ir8 Os4]'
_cell_volume [218.6954]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  2  0.0000  0.0000  0.3339  1
  Cr  Cr1  2  0.5000  0.0000  0.6660  1
  Ir  Ir2  4  0.0000  0.2455  0.5843  1
  Os  Os3  4  0.5000  0.2436  0.4162  1
  Ir  Ir4  2  0.0000  0.0000  0.8302  1
  Ir  Ir5  2  0.5000  0.0000  0.1691  1
]