data_[La8In2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.2240]
_cell_length_b [7.2972]
_cell_length_c [8.9225]
_cell_angle_alpha [104.6908]
_cell_angle_beta [107.6330]
_cell_angle_gamma [106.0111]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La4InRu2]
_chemical_formula_sum '[La8 In2 Ru4]'
_cell_volume [400.6182]
_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  0.0779  0.2947  0.4486  1.0
  La  La1  1  0.2906  0.1735  0.8631  1.0
  La  La2  1  0.3984  0.0248  0.2465  1.0
  La  La3  1  0.4425  0.7095  0.8440  1.0
  La  La4  1  0.4972  0.5745  0.2599  1.0
  La  La5  1  0.7177  0.0847  0.6703  1.0
  La  La6  1  0.8445  0.6105  0.6648  1.0
  La  La7  1  0.8794  0.5279  0.0731  1.0
  In  In8  1  0.1529  0.8460  0.4830  1.0
  In  In9  1  0.9291  0.0319  0.0440  1.0
  Ru  Ru10  1  0.1166  0.4803  0.8566  1.0
  Ru  Ru11  1  0.4807  0.2981  0.6321  1.0
  Ru  Ru12  1  0.6475  0.2047  0.1277  1.0
  Ru  Ru13  1  0.7748  0.8888  0.2863  1.0
]