data_[Sc8Cr8Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Cr  1.6600  1.4000  0.9400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.1782]
_cell_length_b [5.1588]
_cell_length_c [9.0326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ScCrOs]
_chemical_formula_sum '[Sc8 Cr8 Os8]'
_cell_volume [381.0857]
_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  0.1873  0.0000  0.3333  1.0
  Sc  Sc1  4  0.3114  0.0000  0.6660  1.0
  Cr  Cr2  4  0.2608  0.0000  0.9989  1.0
  Cr  Cr3  4  0.5000  0.2493  0.4151  1.0
  Os  Os4  4  0.0000  0.2466  0.5834  1.0
  Os  Os5  2  0.0000  0.0000  0.8302  1.0
  Os  Os6  2  0.5000  0.0000  0.1767  1.0
]