data_[La16Tl4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9557]
_cell_length_b [5.5926]
_cell_length_c [7.0008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5844]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Tl2Pt]
_chemical_formula_sum '[La16 Tl4 Pt2]'
_cell_volume [707.4834]
_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  4  0.0072  0.0000  0.7797  1.0
  La  La1  4  0.0923  0.5000  0.4211  1.0
  La  La2  4  0.1511  0.5000  0.9412  1.0
  La  La3  4  0.2106  0.0000  0.2510  1.0
  Tl  Tl4  4  0.1767  0.0000  0.6965  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
]