data_[Gd4Tl4Zn4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.2197]
_cell_length_b [4.1383]
_cell_length_c [12.0055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [GdTlZnS3]
_chemical_formula_sum '[Gd4 Tl4 Zn4 S12]'
_cell_volume [557.4176]
_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
[
  Gd  Gd0  4  0.0222  0.7500  0.8301  1
  Tl  Tl1  4  0.1624  0.7500  0.4919  1
  Zn  Zn2  4  0.2482  0.7500  0.2005  1
  S  S3  4  0.0463  0.2500  0.6758  1
  S  S4  4  0.1034  0.7500  0.0595  1
  S  S5  4  0.2200  0.2500  0.2994  1
]