data_[Lu2Si4Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.4149]
_cell_length_b [3.9374]
_cell_length_c [8.1234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LuSi2Ru]
_chemical_formula_sum '[Lu2 Si4 Ru2]'
_cell_volume [138.6148]
_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
[
  Lu  Lu0  2  0.0731  0.2500  0.1979  1.0
  Si  Si1  2  0.1625  0.7500  0.4862  1.0
  Si  Si2  2  0.4666  0.2500  0.9116  1.0
  Ru  Ru3  2  0.3823  0.2500  0.6177  1.0
]