data_[Th16Ni8Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ni  1.9100  1.3500  0.7400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [8.8691]
_cell_length_b [8.8691]
_cell_length_c [9.1182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [Th4Ni2Os]
_chemical_formula_sum '[Th16 Ni8 Os4]'
_cell_volume [717.2370]
_cell_formula_units_Z [4]
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
[
  Th  Th0  16  0.0000  0.1932  0.3203  1
  Ni  Ni1  8  0.0000  0.2500  0.6250  1
  Os  Os2  4  0.0000  0.0000  0.0000  1
]