data_[Sc8Os8W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Os  2.2000  1.3000  0.6730
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.5569]
_cell_length_b [5.3421]
_cell_length_c [9.3069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ScOsW]
_chemical_formula_sum '[Sc8 Os8 W8]'
_cell_volume [425.4357]
_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
[
  Sc  Sc0  4  0.1812  0.0000  0.3335  1.0
  Sc  Sc1  4  0.3092  0.0000  0.6661  1.0
  Os  Os2  4  0.0000  0.2360  0.5871  1.0
  Os  Os3  2  0.0000  0.0000  0.8281  1.0
  Os  Os4  2  0.5000  0.0000  0.1702  1.0
  W  W5  4  0.2398  0.0000  0.0022  1.0
  W  W6  4  0.5000  0.2472  0.4118  1.0
]