data_[La6Tl2Ru2]
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 [Pmma]
_cell_length_a [6.7445]
_cell_length_b [5.5977]
_cell_length_c [8.2088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [La3TlRu]
_chemical_formula_sum '[La6 Tl2 Ru2]'
_cell_volume [309.9107]
_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  2  0.0000  0.0000  0.0000  1.0
  La  La1  2  0.2500  0.0000  0.3881  1.0
  La  La2  2  0.2500  0.5000  0.7201  1.0
  Tl  Tl3  2  0.2500  0.5000  0.1514  1.0
  Ru  Ru4  2  0.2500  0.0000  0.7110  1.0
]