data_[Li1U1Pa2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [P2/m]
_cell_length_a [6.6917]
_cell_length_b [3.8102]
_cell_length_c [6.7009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiU(PaS2)2]
_chemical_formula_sum '[Li1 U1 Pa2 S4]'
_cell_volume [161.5121]
_cell_formula_units_Z [1]
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
[
  Li  Li0  1  0.0000  0.5000  0.5000  1
  U  U1  1  0.0000  0.0000  0.0000  1
  Pa  Pa2  1  0.5000  0.0000  0.5000  1
  Pa  Pa3  1  0.5000  0.5000  0.0000  1
  S  S4  2  0.2356  0.0000  0.7361  1
  S  S5  2  0.2401  0.5000  0.2564  1
]