data_[Sm12Ga8Si12]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1531]
_cell_length_b [10.9486]
_cell_length_c [15.2109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm3Ga2Si3]
_chemical_formula_sum '[Sm12 Ga8 Si12]'
_cell_volume [691.6476]
_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  8  0.0000  0.1428  0.5930  1
  Sm  Sm1  4  0.0000  0.4388  0.7500  1
  Ga  Ga2  8  0.0000  0.1451  0.1212  1
  Si  Si3  8  0.0000  0.4247  0.5537  1
  Si  Si4  4  0.0000  0.2884  0.2500  1
]