data_[Cs4Rb4As4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [12.5350]
_cell_length_b [8.3151]
_cell_length_c [9.1834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1459]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsRbAsS3]
_chemical_formula_sum '[Cs4 Rb4 As4 S12]'
_cell_volume [942.2119]
_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
[
  Cs  Cs0  4  0.1584  0.5000  0.9245  1.0
  Rb  Rb1  4  0.0000  0.2359  0.5000  1.0
  As  As2  4  0.0259  0.0000  0.1431  1.0
  S  S3  8  0.1198  0.2176  0.2043  1.0
  S  S4  4  0.1243  0.0000  0.7680  1.0
]