data_[Th36Ga18Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.9251]
_cell_length_b [11.9251]
_cell_length_c [13.2494]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Th12Ga6Os]
_chemical_formula_sum '[Th36 Ga18 Os3]'
_cell_volume [1631.7367]
_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
[
  Th  Th0  18  0.0394  0.1999  0.8698  1
  Th  Th1  18  0.0432  0.8466  0.3884  1
  Ga  Ga2  18  0.0018  0.5983  0.2579  1
  Os  Os3  3  0.0000  0.0000  0.0000  1
]