data_[U4Pa4S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.8743]
_cell_length_b [13.9817]
_cell_length_c [8.5101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [U2Pa2S7]
_chemical_formula_sum '[U4 Pa4 S14]'
_cell_volume [460.9945]
_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
[
  U  U0  2  0.0000  0.0000  0.7757  1
  U  U1  2  0.0000  0.5000  0.8333  1
  Pa  Pa2  4  0.0000  0.2597  0.5905  1
  S  S3  4  0.0000  0.1388  0.2772  1
  S  S4  4  0.0000  0.1830  0.8897  1
  S  S5  4  0.0000  0.3880  0.1098  1
  S  S6  2  0.0000  0.5000  0.5106  1
]