data_[Ba6U4Pa2As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  U  1.3800  1.7500  0.9913
  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 [7.4763]
_cell_length_b [12.9491]
_cell_length_c [7.8814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4303]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3U2PaAs6]
_chemical_formula_sum '[Ba6 U4 Pa2 As12]'
_cell_volume [723.8796]
_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  0.1674  0.5000  1
  Ba  Ba1  2  0.0000  0.5000  0.5000  1
  U  U2  4  0.0000  0.3334  0.0000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  As  As4  8  0.2325  0.1653  0.2015  1
  As  As5  4  0.2367  0.5000  0.2021  1
]