data_[Sc4Pa2Ag4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7054]
_cell_length_b [11.5671]
_cell_length_c [6.6414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.1279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sc2Pa(AgS3)2]
_chemical_formula_sum '[Sc4 Pa2 Ag4 S12]'
_cell_volume [513.0612]
_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
[
  Sc  Sc0  4  0.0000  0.3380  0.5000  1
  Pa  Pa1  2  0.0000  0.0000  0.5000  1
  Ag  Ag2  4  0.0000  0.1238  0.0000  1
  S  S3  8  0.1903  0.1741  0.7111  1
  S  S4  4  0.1813  0.5000  0.7139  1
]