data_[Pa36Si18Os3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.3728]
_cell_length_b [10.3728]
_cell_length_c [12.8081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pa12Si6Os]
_chemical_formula_sum '[Pa36 Si18 Os3]'
_cell_volume [1193.4565]
_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
[
  Pa  Pa0  18  0.0442  0.8567  0.8033  1
  Pa  Pa1  18  0.0641  0.2269  0.4216  1
  Si  Si2  18  0.0504  0.5962  0.7012  1
  Os  Os3  3  0.0000  0.0000  0.0000  1
]