data_[La16Zn2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9005]
_cell_length_b [8.7541]
_cell_length_c [6.9416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5112]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8ZnRu2]
_chemical_formula_sum '[La16 Zn2 Ru4]'
_cell_volume [734.2378]
_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  8  0.1195  0.2994  0.2810  1.0
  La  La1  4  0.1188  0.0000  0.7050  1.0
  La  La2  4  0.1640  0.5000  0.7966  1.0
  Zn  Zn3  2  0.0000  0.0000  0.0000  1.0
  Ru  Ru4  4  0.1726  0.0000  0.3504  1.0
]