data_[La8Tl2Ru4]
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 [P1]
_cell_length_a [7.2457]
_cell_length_b [7.3252]
_cell_length_c [8.8739]
_cell_angle_alpha [105.0871]
_cell_angle_beta [107.8362]
_cell_angle_gamma [105.8535]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La4TlRu2]
_chemical_formula_sum '[La8 Tl2 Ru4]'
_cell_volume [399.7202]
_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  1  0.0785  0.2878  0.4495  1.0
  La  La1  1  0.2941  0.1727  0.8618  1.0
  La  La2  1  0.3983  0.0304  0.2474  1.0
  La  La3  1  0.4444  0.7102  0.8487  1.0
  La  La4  1  0.4894  0.5774  0.2585  1.0
  La  La5  1  0.7198  0.0871  0.6678  1.0
  La  La6  1  0.8424  0.6054  0.6592  1.0
  La  La7  1  0.8740  0.5276  0.0691  1.0
  Tl  Tl8  1  0.1555  0.8317  0.4807  1.0
  Tl  Tl9  1  0.9338  0.0351  0.0394  1.0
  Ru  Ru10  1  0.1162  0.4757  0.8543  1.0
  Ru  Ru11  1  0.4923  0.3133  0.6414  1.0
  Ru  Ru12  1  0.6456  0.2067  0.1341  1.0
  Ru  Ru13  1  0.7657  0.8888  0.2881  1.0
]