data_[La4Mg12Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [17.6171]
_cell_length_b [4.9117]
_cell_length_c [7.9132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaMg3Tl2]
_chemical_formula_sum '[La4 Mg12 Tl8]'
_cell_volume [632.8700]
_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
[
  La  La0  4  0.1211  0.0000  0.1857  1.0
  Mg  Mg1  4  0.0694  0.0000  0.7000  1.0
  Mg  Mg2  4  0.1313  0.5000  0.5087  1.0
  Mg  Mg3  4  0.1959  0.5000  0.9207  1.0
  Tl  Tl4  4  0.0171  0.5000  0.8237  1.0
  Tl  Tl5  4  0.2346  0.0000  0.6742  1.0
]