data_[Pa12Re8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [5.4676]
_cell_length_b [7.7471]
_cell_length_c [13.3656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [Pa3(ReSi)2]
_chemical_formula_sum '[Pa12 Re8 Si8]'
_cell_volume [566.1477]
_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  0.1542  0.5968  0.1021  1
  Pa  Pa1  4  0.3788  0.2388  0.2500  1
  Re  Re2  8  0.3493  0.5314  0.5933  1
  Si  Si3  4  0.1173  0.6127  0.7500  1
  Si  Si4  4  0.3694  0.2500  0.0000  1
]