data_[Pa4Re20Tc4]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.5608]
_cell_length_b [5.1976]
_cell_length_c [10.8378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PaRe5Tc]
_chemical_formula_sum '[Pa4 Re20 Tc4]'
_cell_volume [482.2380]
_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  4  0.2485  0.2500  0.0586  1
  Re  Re1  8  0.0653  0.0089  0.3108  1
  Re  Re2  4  0.0619  0.7500  0.0766  1
  Re  Re3  4  0.1233  0.2500  0.5275  1
  Tc  Tc4  4  0.1380  0.7500  0.8476  1
  Re  Re5  4  0.1894  0.2500  0.7633  1
]