data_[La24Tl8Ru8]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1410]
_cell_length_b [13.8487]
_cell_length_c [7.5891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La3TlRu]
_chemical_formula_sum '[La24 Tl8 Ru8]'
_cell_volume [1163.7737]
_cell_formula_units_Z [8]
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  0.1273  0.1871  0.5375  1
  La  La1  8  0.1330  0.4653  0.4800  1
  La  La2  8  0.1696  0.1650  0.0664  1
  Tl  Tl3  4  0.0000  0.0007  0.7500  1
  Tl  Tl4  4  0.0000  0.3366  0.7500  1
  Ru  Ru5  8  0.1143  0.3332  0.2082  1
]