data_[Rb4Sc4Pa4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.1661]
_cell_length_b [8.7016]
_cell_length_c [11.2976]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [RbScPaS4]
_chemical_formula_sum '[Rb4 Sc4 Pa4 S16]'
_cell_volume [802.7879]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.0000  0.2500  0.6449  1
  Sc  Sc1  4  0.2500  0.2500  0.2500  1
  Pa  Pa2  4  0.0000  0.0000  0.0000  1
  S  S3  8  0.0000  0.0581  0.2358  1
  S  S4  8  0.2057  0.2500  0.0163  1
]