data_[Li2Pa10S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.6743]
_cell_length_b [11.5931]
_cell_length_c [6.7401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2708]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiPa5S6]
_chemical_formula_sum '[Li2 Pa10 S12]'
_cell_volume [492.2999]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  Pa  Pa1  4  0.0000  0.1675  0.5000  1
  Pa  Pa2  4  0.0000  0.3330  0.0000  1
  Pa  Pa3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2417  0.1615  0.2411  1
  S  S5  4  0.2423  0.0000  0.7566  1
]