data_[Pa12Ge12Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Ge  2.0100  1.2500  0.7700
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.7388]
_cell_length_b [14.9881]
_cell_length_c [5.6100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pa3Ge3Os2]
_chemical_formula_sum '[Pa12 Ge12 Os8]'
_cell_volume [650.7049]
_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
[
  Pa  Pa0  8  0.0359  0.6065  0.6176  1
  Pa  Pa1  4  0.1737  0.7500  0.1428  1
  Ge  Ge2  8  0.1896  0.5352  0.1112  1
  Ge  Ge3  4  0.1833  0.2500  0.1471  1
  Os  Os4  8  0.0977  0.1165  0.8856  1
]