data_[Mn16Ir16Os16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.0909]
_cell_length_b [10.4262]
_cell_length_c [14.4922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [MnIrOs]
_chemical_formula_sum '[Mn16 Ir16 Os16]'
_cell_volume [769.2261]
_cell_formula_units_Z [16]
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
[
  Mn  Mn0  16  0.0000  0.0000  0.0904  1
  Os  Os1  16  0.0000  0.2045  0.0000  1
  Ir  Ir2  16  0.1250  0.1250  0.6250  1
]