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 [P-1]
_cell_length_a [5.9577]
_cell_length_b [6.9907]
_cell_length_c [8.9254]
_cell_angle_alpha [108.9954]
_cell_angle_beta [94.0989]
_cell_angle_gamma [114.6097]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3TlRu]
_chemical_formula_sum '[La6 Tl2 Ru2]'
_cell_volume [310.1558]
_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  0.1009  0.7062  0.2257  1.0
  La  La1  2  0.2170  0.8357  0.6687  1.0
  La  La2  2  0.3262  0.2647  0.1007  1.0
  Tl  Tl3  2  0.3542  0.2719  0.5329  1.0
  Ru  Ru4  2  0.2313  0.8072  0.9645  1.0
]