data_[La12Mg2Tl10]
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 [Immm]
_cell_length_a [5.6295]
_cell_length_b [7.9383]
_cell_length_c [16.9637]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La6MgTl5]
_chemical_formula_sum '[La12 Mg2 Tl10]'
_cell_volume [758.0850]
_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
[
  La  La0  8  0.0000  0.2518  0.8312  1
  La  La1  4  0.0000  0.2453  0.5000  1
  Mg  Mg2  2  0.0000  0.0000  0.0000  1
  Tl  Tl3  4  0.0000  0.0000  0.3330  1
  Tl  Tl4  4  0.0000  0.5000  0.3416  1
  Tl  Tl5  2  0.0000  0.5000  0.0000  1
]