data_[Lu8Sn8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7632]
_cell_length_b [4.3685]
_cell_length_c [10.9144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9549]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu2Sn2Ru]
_chemical_formula_sum '[Lu8 Sn8 Ru4]'
_cell_volume [465.2780]
_cell_formula_units_Z [4]
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  4  0.0063  0.0000  0.6723  1
  Lu  Lu1  4  0.1836  0.0000  0.1313  1
  Sn  Sn2  4  0.0379  0.5000  0.8869  1
  Sn  Sn3  4  0.1560  0.5000  0.5489  1
  Ru  Ru4  4  0.2164  0.5000  0.3239  1
]