data_[Sn56Ir16Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Fmm2]
_cell_length_a [9.5225]
_cell_length_b [13.4294]
_cell_length_c [13.4182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [42]
_chemical_formula_structural [Sn7Ir2Os]
_chemical_formula_sum '[Sn56 Ir16 Os8]'
_cell_volume [1715.9384]
_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
[
  Sn  Sn0  16  0.1628  0.1639  0.9990  1.0
  Sn  Sn1  8  0.0000  0.1245  0.6263  1.0
  Sn  Sn2  8  0.0000  0.1263  0.3755  1.0
  Sn  Sn3  8  0.1618  0.0000  0.8361  1.0
  Sn  Sn4  8  0.1638  0.0000  0.1639  1.0
  Sn  Sn5  8  0.2500  0.2500  0.2520  1.0
  Ir  Ir6  8  0.0000  0.1709  0.1707  1.0
  Os  Os7  8  0.0000  0.1722  0.8275  1.0
  Ir  Ir8  8  0.1563  0.0000  0.4998  1.0
]