data_[Sm4Sn12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8821]
_cell_length_b [4.4115]
_cell_length_c [8.1634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmSn3Pd2]
_chemical_formula_sum '[Sm4 Sn12 Pd8]'
_cell_volume [546.0480]
_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  0.1216  0.0000  0.1381  1
  Sn  Sn1  4  0.0364  0.0000  0.6879  1
  Sn  Sn2  4  0.1690  0.5000  0.4728  1
  Sn  Sn3  4  0.1764  0.5000  0.8900  1
  Pd  Pd4  4  0.0028  0.5000  0.1722  1
  Pd  Pd5  4  0.2171  0.0000  0.7157  1
]