data_[Sc9Be24Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Be  1.5700  1.0500  0.5900
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6223]
_cell_length_b [4.6223]
_cell_length_c [22.8857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Sc3Be8Os]
_chemical_formula_sum '[Sc9 Be24 Os3]'
_cell_volume [423.4576]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3773  1
  Sc  Sc1  3  0.0000  0.0000  0.5008  1
  Sc  Sc2  3  0.0000  0.0000  0.9952  1
  Be  Be3  9  0.0009  0.5004  0.9327  1
  Be  Be4  9  0.0121  0.5060  0.4423  1
  Be  Be5  3  0.0000  0.0000  0.1872  1
  Be  Be6  3  0.0000  0.0000  0.6888  1
  Os  Os7  3  0.0000  0.0000  0.8756  1
]