data_[Sm12Ga4Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6231]
_cell_length_b [4.4701]
_cell_length_c [15.2727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3GaSn3]
_chemical_formula_sum '[Sm12 Ga4 Sn12]'
_cell_volume [758.4266]
_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  0.0116  0.5000  0.3780  1
  Sm  Sm1  4  0.1063  0.5000  0.9236  1
  Sm  Sm2  4  0.2294  0.5000  0.2320  1
  Ga  Ga3  4  0.2247  0.0000  0.3700  1
  Sn  Sn4  4  0.0003  0.0000  0.2260  1
  Sn  Sn5  4  0.1215  0.0000  0.0771  1
  Sn  Sn6  4  0.1432  0.0000  0.5393  1
]