data_[La3Tl2Sn3Ru1]
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
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.9308]
_cell_length_b [7.9308]
_cell_length_c [4.5763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [La3Tl2Sn3Ru]
_chemical_formula_sum '[La3 Tl2 Sn3 Ru1]'
_cell_volume [249.2805]
_cell_formula_units_Z [1]
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  3  0.0000  0.6184  0.0000  1.0
  Tl  Tl1  2  0.3333  0.6667  0.5000  1.0
  Sn  Sn2  3  0.0000  0.2284  0.5000  1.0
  Ru  Ru3  1  0.0000  0.0000  0.0000  1.0
]