data_[La12Mg4Tl4]
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 [17.1202]
_cell_length_b [3.6914]
_cell_length_c [10.9350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3MgTl]
_chemical_formula_sum '[La12 Mg4 Tl4]'
_cell_volume [643.6097]
_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  0.0713  0.5000  0.9241  1.0
  La  La1  4  0.1494  0.5000  0.5189  1.0
  La  La2  4  0.2399  0.0000  0.8444  1.0
  Mg  Mg3  4  0.1155  0.0000  0.2302  1.0
  Tl  Tl4  4  0.0300  0.0000  0.6532  1.0
]