data_[Sm12Zn2Sn4]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.1894]
_cell_length_b [7.3439]
_cell_length_c [15.5030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm6ZnSn2]
_chemical_formula_sum '[Sm12 Zn2 Sn4]'
_cell_volume [590.8217]
_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
[
  Sm  Sm0  8  0.0000  0.2431  0.1610  1
  Sm  Sm1  4  0.0000  0.2667  0.5000  1
  Zn  Zn2  2  0.0000  0.0000  0.0000  1
  Sn  Sn3  4  0.0000  0.0000  0.3336  1
]