data_[Sm4Cu4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [12.7536]
_cell_length_b [6.2225]
_cell_length_c [6.0811]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [SmCuSn3]
_chemical_formula_sum '[Sm4 Cu4 Sn12]'
_cell_volume [482.5937]
_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  0.3010  0.0034  0.7500  1.0
  Cu  Cu1  4  0.1137  0.2500  0.0000  1.0
  Sn  Sn2  4  0.0549  0.6041  0.2500  1.0
  Sn  Sn3  4  0.2345  0.5149  0.7500  1.0
  Sn  Sn4  4  0.4979  0.2500  0.0000  1.0
]