data_[Ce4Mg12Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3303]
_cell_length_b [4.8087]
_cell_length_c [7.8977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeMg3Tl2]
_chemical_formula_sum '[Ce4 Mg12 Tl8]'
_cell_volume [603.8602]
_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
[
  Ce  Ce0  4  0.1197  0.0000  0.1866  1.0
  Mg  Mg1  4  0.0696  0.0000  0.7021  1.0
  Mg  Mg2  4  0.1307  0.5000  0.5084  1.0
  Mg  Mg3  4  0.1971  0.5000  0.9216  1.0
  Tl  Tl4  4  0.0174  0.5000  0.8277  1.0
  Tl  Tl5  4  0.2365  0.0000  0.6734  1.0
]