data_[La2Si2Ge2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5798]
_cell_length_b [4.3066]
_cell_length_c [8.4533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7383]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaSiGeRu]
_chemical_formula_sum '[La2 Si2 Ge2 Ru2]'
_cell_volume [161.9556]
_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  0.3997  0.2500  0.2978  1
  Si  Si1  2  0.0402  0.2500  0.5897  1
  Ge  Ge2  2  0.3188  0.7500  0.0051  1
  Ru  Ru3  2  0.1169  0.2500  0.8790  1
]