data_[K2Rb28S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [13.0393]
_cell_length_b [12.6246]
_cell_length_c [15.7360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [KRb14S]
_chemical_formula_sum '[K2 Rb28 S2]'
_cell_volume [2590.4048]
_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
[
  Rb  Rb0  8  0.3319  0.1664  0.6368  1
  Rb  Rb1  4  0.0000  0.2180  0.8403  1
  Rb  Rb2  4  0.2418  0.0000  0.3416  1
  Rb  Rb3  4  0.2911  0.0000  0.8908  1
  Rb  Rb4  4  0.5000  0.2391  0.8663  1
  Rb  Rb5  2  0.0000  0.0000  0.1039  1
  Rb  Rb6  2  0.0000  0.0000  0.5813  1
  K  K7  2  0.5000  0.0000  0.1320  1
  S  S8  2  0.5000  0.0000  0.7576  1
]