data_[La12Pr4Tl4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Tl  1.6200  1.9000  1.3325
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.4649]
_cell_length_b [7.6573]
_cell_length_c [6.3143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PrTlRu]
_chemical_formula_sum '[La12 Pr4 Tl4 Ru4]'
_cell_volume [747.8433]
_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  8  0.1171  0.2456  0.0999  1.0
  La  La1  4  0.1794  0.0000  0.6535  1.0
  Pr  Pr2  4  0.0000  0.2999  0.5000  1.0
  Tl  Tl3  4  0.1967  0.5000  0.7035  1.0
  Ru  Ru4  4  0.0006  0.0000  0.2396  1.0
]