data_[Sr8Pa4Pt4S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pa  1.5000  1.8000  1.0400
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9482]
_cell_length_b [17.3462]
_cell_length_c [12.6017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2PaPtS5]
_chemical_formula_sum '[Sr8 Pa4 Pt4 S20]'
_cell_volume [863.0385]
_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
[
  Sr  Sr0  4  0.0000  0.1114  0.3433  1
  Sr  Sr1  4  0.0000  0.1173  0.6911  1
  Pa  Pa2  4  0.0000  0.1913  0.0178  1
  Pt  Pt3  4  0.0000  0.4414  0.4304  1
  S  S4  4  0.0000  0.0388  0.0290  1
  S  S5  4  0.0000  0.2974  0.3702  1
  S  S6  4  0.0000  0.3008  0.6653  1
  S  S7  4  0.0000  0.3441  0.0174  1
  S  S8  4  0.0000  0.4997  0.7596  1
]