data_[Sm8Ir8Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.9846]
_cell_length_b [5.4057]
_cell_length_c [9.2335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [SmIrOs]
_chemical_formula_sum '[Sm8 Ir8 Os8]'
_cell_volume [448.4563]
_cell_formula_units_Z [8]
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
[
  Sm  Sm0  4  0.1834  0.0000  0.3353  1.0
  Sm  Sm1  4  0.3195  0.0000  0.6676  1.0
  Os  Os2  4  0.0000  0.2479  0.5848  1.0
  Ir  Ir3  4  0.2513  0.0000  0.0037  1.0
  Ir  Ir4  4  0.5000  0.2471  0.4126  1.0
  Os  Os5  2  0.0000  0.0000  0.8250  1.0
  Os  Os6  2  0.5000  0.0000  0.1676  1.0
]