data_[Sm4Ge12Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.7814]
_cell_length_b [4.5599]
_cell_length_c [6.7788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmGe3Pd2]
_chemical_formula_sum '[Sm4 Ge12 Pd8]'
_cell_volume [453.2066]
_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  0.1310  0.0000  0.1572  1
  Ge  Ge1  4  0.0385  0.0000  0.6899  1
  Ge  Ge2  4  0.1659  0.5000  0.4753  1
  Ge  Ge3  4  0.1747  0.5000  0.8866  1
  Pd  Pd4  4  0.0019  0.5000  0.7933  1
  Pd  Pd5  4  0.2083  0.0000  0.7080  1
]