data_[K2Rb4As4S12]
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
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4073]
_cell_length_b [7.4794]
_cell_length_c [8.4558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRb2(AsS3)2]
_chemical_formula_sum '[K2 Rb4 As4 S12]'
_cell_volume [746.0141]
_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  4  0.1911  0.5000  0.1843  1
  K  K1  2  0.0000  0.5000  0.5000  1
  As  As2  4  0.0234  0.0000  0.3126  1
  S  S3  8  0.0630  0.2391  0.7984  1
  S  S4  4  0.2028  0.0000  0.3768  1
]