data_[Sm4Zn12]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.7283]
_cell_length_b [4.4852]
_cell_length_c [10.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmZn3]
_chemical_formula_sum '[Sm4 Zn12]'
_cell_volume [309.4987]
_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  0.2206  0.7500  0.1616  1.0
  Zn  Zn1  4  0.0361  0.2500  0.3960  1.0
  Zn  Zn2  4  0.0834  0.7500  0.8521  1.0
  Zn  Zn3  4  0.2166  0.2500  0.9569  1.0
]