data_[Rb1Pa2Ti1S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pa  1.5000  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0878]
_cell_length_b [8.4361]
_cell_length_c [6.2886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4753]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbPa2TiS8]
_chemical_formula_sum '[Rb1 Pa2 Ti1 S8]'
_cell_volume [322.6644]
_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
[
  Rb  Rb0  1  0.0000  0.5000  0.0000  1
  Pa  Pa1  2  0.5000  0.2497  0.5000  1
  Ti  Ti2  1  0.0000  0.0000  0.0000  1
  S  S3  4  0.2240  0.1923  0.1837  1
  S  S4  2  0.2776  0.5000  0.6125  1
  S  S5  2  0.2856  0.0000  0.6925  1
]