data_[Cs28K2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [14.2447]
_cell_length_b [13.3532]
_cell_length_c [16.7968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Cs14KS]
_chemical_formula_sum '[Cs28 K2 S2]'
_cell_volume [3194.9687]
_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
[
  Cs  Cs0  8  0.3357  0.1663  0.6387  1
  Cs  Cs1  4  0.0000  0.2197  0.8407  1
  Cs  Cs2  4  0.2495  0.0000  0.3379  1
  Cs  Cs3  4  0.2963  0.0000  0.8913  1
  Cs  Cs4  4  0.5000  0.2341  0.8643  1
  Cs  Cs5  2  0.0000  0.0000  0.1038  1
  Cs  Cs6  2  0.0000  0.0000  0.5803  1
  K  K7  2  0.5000  0.0000  0.1311  1
  S  S8  2  0.5000  0.0000  0.7615  1
]