data_[Th14Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.0354]
_cell_length_b [10.0354]
_cell_length_c [6.3352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Th7Os3]
_chemical_formula_sum '[Th14 Os6]'
_cell_volume [552.5364]
_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
[
  Th  Th0  6  0.0797  0.5399  0.2995  1
  Th  Th1  6  0.1264  0.2529  0.0024  1
  Th  Th2  2  0.3333  0.6667  0.7859  1
  Os  Os3  6  0.1871  0.3742  0.5501  1
]