data_[Sm4Zn8Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [5.6753]
_cell_length_b [11.8538]
_cell_length_c [5.1053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SmZn2Ru]
_chemical_formula_sum '[Sm4 Zn8 Ru4]'
_cell_volume [314.1313]
_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
[
  Sm  Sm0  4  0.0000  0.1435  0.2500  1.0
  Zn  Zn1  8  0.1223  0.5919  0.5641  1.0
  Ru  Ru2  4  0.0000  0.2283  0.7500  1.0
]