data_[Ba6Sr4Pa2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Pa  1.5000  1.8000  1.0400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8815]
_cell_length_b [13.6914]
_cell_length_c [7.8921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Sr2PaAs6]
_chemical_formula_sum '[Ba6 Sr4 Pa2 As12]'
_cell_volume [802.5835]
_cell_formula_units_Z [2]
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  0.1730  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.5000  1
  Sr  Sr2  4  0.0000  0.3342  0.0000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  As  As4  8  0.2230  0.1513  0.2160  1
  As  As5  4  0.2272  0.0000  0.7808  1
]