data_[La3Ce7Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0154]
_cell_length_b [9.6596]
_cell_length_c [10.4912]
_cell_angle_alpha [110.4185]
_cell_angle_beta [100.3834]
_cell_angle_gamma [101.7216]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3Ce7Ru4]
_chemical_formula_sum '[La3 Ce7 Ru4]'
_cell_volume [359.1514]
_cell_formula_units_Z [1]
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  0.4912  0.8163  0.1978  1
  La  La1  1  0.5000  0.5000  0.5000  1
  Ce  Ce2  2  0.1291  0.8237  0.4752  1
  Ce  Ce3  2  0.2562  0.4189  0.0882  1
  Ce  Ce4  2  0.3066  0.8114  0.8099  1
  Ce  Ce5  1  0.0000  0.0000  0.0000  1
  Ru  Ru6  2  0.0921  0.4546  0.7446  1
  Ru  Ru7  2  0.2044  0.0962  0.3459  1
]