data_[Th6U2Pa4As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  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 [18.2229]
_cell_length_b [4.1677]
_cell_length_c [8.3585]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6059]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th3U(PaAs3)2]
_chemical_formula_sum '[Th6 U2 Pa4 As12]'
_cell_volume [616.9936]
_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
[
  Th  Th0  4  0.1670  0.0000  0.8326  1
  Th  Th1  2  0.0000  0.5000  0.5000  1
  U  U2  2  0.0000  0.5000  0.0000  1
  Pa  Pa3  4  0.1657  0.0000  0.3312  1
  As  As4  4  0.0022  0.0000  0.2432  1
  As  As5  4  0.1639  0.5000  0.0891  1
  As  As6  4  0.1697  0.5000  0.5758  1
]