data_[Sc6Si8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1616]
_cell_length_b [4.1269]
_cell_length_c [7.7060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc3(Si2Os)2]
_chemical_formula_sum '[Sc6 Si8 Os4]'
_cell_volume [302.9061]
_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
[
  Sc  Sc0  4  0.1212  0.5000  0.6976  1.0
  Sc  Sc1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.0872  0.0000  0.4108  1.0
  Si  Si3  4  0.2228  0.5000  0.0743  1.0
  Os  Os4  4  0.1770  0.5000  0.3533  1.0
]