data_[Sc16Tl4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2122]
_cell_length_b [5.0644]
_cell_length_c [6.6617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc8Tl2Os]
_chemical_formula_sum '[Sc16 Tl4 Os2]'
_cell_volume [503.2534]
_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  0.0067  0.0000  0.7693  1.0
  Sc  Sc1  4  0.1156  0.5000  0.4012  1.0
  Sc  Sc2  4  0.1389  0.5000  0.8981  1.0
  Sc  Sc3  4  0.1850  0.0000  0.2162  1.0
  Tl  Tl4  4  0.1851  0.0000  0.6856  1.0
  Os  Os5  2  0.0000  0.5000  0.0000  1.0
]