data_[Ba4Pa8Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.3759]
_cell_length_b [8.3759]
_cell_length_c [15.1100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [BaPa2Te5]
_chemical_formula_sum '[Ba4 Pa8 Te20]'
_cell_volume [1060.0394]
_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  4  0.0000  0.0000  0.2500  1
  Pa  Pa1  8  0.1493  0.3507  0.0000  1
  Te  Te2  16  0.1498  0.3502  0.6343  1
  Te  Te3  4  0.0000  0.0000  0.0000  1
]