data_[Sc18Zn18Os18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.1524]
_cell_length_b [5.1524]
_cell_length_c [39.7551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [ScZnOs]
_chemical_formula_sum '[Sc18 Zn18 Os18]'
_cell_volume [913.9966]
_cell_formula_units_Z [18]
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  6  0.0000  0.0000  0.0398  1.0
  Sc  Sc1  6  0.0000  0.0000  0.1778  1.0
  Sc  Sc2  6  0.0000  0.0000  0.2687  1.0
  Zn  Zn3  18  0.0002  0.5001  0.7776  1.0
  Os  Os4  9  0.0000  0.5000  0.0000  1.0
  Os  Os5  6  0.0000  0.0000  0.3889  1.0
  Os  Os6  3  -0.0000  -0.0000  0.5000  1.0
]