data_[Lu4Tl4Cd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Tl  1.6200  1.9000  1.3325
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.0808]
_cell_length_b [4.0108]
_cell_length_c [12.2869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LuTlCdS3]
_chemical_formula_sum '[Lu4 Tl4 Cd4 S12]'
_cell_volume [595.3451]
_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
[
  Lu  Lu0  4  0.0342  0.7500  0.6564  1
  Tl  Tl1  4  0.1439  0.7500  0.0187  1
  Cd  Cd2  4  0.2484  0.2500  0.8054  1
  S  S3  4  0.0353  0.2500  0.8086  1
  S  S4  4  0.0903  0.7500  0.4356  1
  S  S5  4  0.2456  0.2500  0.1727  1
]