data_[Sm4Cd4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.1923]
_cell_length_b [6.3203]
_cell_length_c [6.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [SmCdSn3]
_chemical_formula_sum '[Sm4 Cd4 Sn12]'
_cell_volume [529.3257]
_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  0.3107  0.0064  0.7500  1
  Cd  Cd1  4  0.1155  0.2500  0.0000  1
  Sn  Sn2  4  0.0806  0.6972  0.2500  1
  Sn  Sn3  4  0.2733  0.5116  0.7500  1
  Sn  Sn4  4  0.5000  0.7500  0.0000  1
]