data_[Ce2Mg6Tl12]
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 [P2_1/m]
_cell_length_a [9.4381]
_cell_length_b [5.1164]
_cell_length_c [11.2051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce(MgTl2)3]
_chemical_formula_sum '[Ce2 Mg6 Tl12]'
_cell_volume [527.1934]
_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  0.0555  0.7500  0.3881  1.0
  Mg  Mg1  2  0.2641  0.7500  0.0053  1.0
  Mg  Mg2  2  0.3521  0.2500  0.8209  1.0
  Mg  Mg3  2  0.4542  0.7500  0.5851  1.0
  Tl  Tl4  2  0.0672  0.2500  0.9204  1.0
  Tl  Tl5  2  0.1437  0.2500  0.2088  1.0
  Tl  Tl6  2  0.1814  0.7500  0.7098  1.0
  Tl  Tl7  2  0.2700  0.2500  0.5255  1.0
  Tl  Tl8  2  0.3703  0.7500  0.2919  1.0
  Tl  Tl9  2  0.4535  0.2500  0.1056  1.0
]