data_[Ce2Tm4Tl6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0233]
_cell_length_b [12.1578]
_cell_length_c [7.8742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeTm2(TlS2)3]
_chemical_formula_sum '[Ce2 Tm4 Tl6 S12]'
_cell_volume [641.9845]
_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  2  0.0000  0.0000  0.0000  1
  Tm  Tm1  4  0.0000  0.3333  0.0000  1
  Tl  Tl2  4  0.0000  0.1655  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  S  S4  8  0.2384  0.1727  0.1974  1
  S  S5  4  0.2200  0.5000  0.1952  1
]