data_[Pa4Rh4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Rh  2.2800  1.3500  0.7450
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1081]
_cell_length_b [3.7127]
_cell_length_c [7.8199]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [PaRhF]
_chemical_formula_sum '[Pa4 Rh4 F4]'
_cell_volume [206.3716]
_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  0.1967  0.2500  0.7036  1
  Rh  Rh1  4  0.0119  0.2500  0.1305  1
  F  F2  4  0.1181  0.7500  0.4568  1
]