data_[Ba8Pa8As20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [16.1381]
_cell_length_b [7.9032]
_cell_length_c [7.9234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Ba2Pa2As5]
_chemical_formula_sum '[Ba8 Pa8 As20]'
_cell_volume [1010.5789]
_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
[
  Ba  Ba0  8  0.2020  0.0000  0.0000  1
  Pa  Pa1  8  0.0000  0.1582  0.3412  1
  As  As2  16  0.1142  0.1449  0.6441  1
  As  As3  4  0.0000  0.0000  0.0000  1
]