data_[K2Sr4Pa2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1718]
_cell_length_b [7.4692]
_cell_length_c [14.2733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [KSr2PaS5]
_chemical_formula_sum '[K2 Sr4 Pa2 S10]'
_cell_volume [551.3727]
_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
[
  K  K0  2  0.0000  0.5000  0.0000  1
  Sr  Sr1  4  0.0000  0.0000  0.2114  1
  Pa  Pa2  2  0.0000  0.5000  0.5000  1
  S  S3  8  0.0000  0.2649  0.3628  1
  S  S4  2  0.0000  0.0000  0.0000  1
]