data_[Cs4Lu4Cd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Lu  1.2700  1.7500  1.0010
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.6483]
_cell_length_b [4.0822]
_cell_length_c [15.7067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsLuCdS3]
_chemical_formula_sum '[Cs4 Lu4 Cd4 S12]'
_cell_volume [682.7382]
_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  0.2493  0.7500  0.0108  1
  Lu  Lu1  4  0.0044  0.7500  0.7496  1
  Cd  Cd2  4  0.2457  0.7500  0.2936  1
  S  S3  4  0.0361  0.7500  0.3633  1
  S  S4  4  0.0442  0.2500  0.8628  1
  S  S5  4  0.2456  0.2500  0.1944  1
]