data_[Sm12Zn4In12]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4086]
_cell_length_b [4.6935]
_cell_length_c [15.1744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3ZnIn3]
_chemical_formula_sum '[Sm12 Zn4 In12]'
_cell_volume [767.6496]
_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  0.0428  0.5000  0.3858  1
  Sm  Sm1  4  0.0964  0.5000  0.9179  1
  Sm  Sm2  4  0.2411  0.5000  0.2231  1
  Zn  Zn3  4  0.2451  0.0000  0.3887  1
  In  In4  4  0.0314  0.0000  0.2372  1
  In  In5  4  0.1201  0.0000  0.0734  1
  In  In6  4  0.1372  0.0000  0.5462  1
]