data_[Ce6Tl6Pt2S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4349]
_cell_length_b [7.8333]
_cell_length_c [8.9138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce3Tl3PtS8]
_chemical_formula_sum '[Ce6 Tl6 Pt2 S16]'
_cell_volume [845.1874]
_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
[
  Ce  Ce0  4  0.2500  0.2500  0.5000  1.0
  Ce  Ce1  2  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  4  0.2500  0.2500  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt4  2  0.0000  0.0000  0.5000  1.0
  S  S5  8  0.0183  0.2152  0.3282  1.0
  S  S6  4  0.1962  0.5000  0.2566  1.0
  S  S7  4  0.2314  0.5000  0.7058  1.0
]