data_[Sm4Fe4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.9429]
_cell_length_b [4.1966]
_cell_length_c [10.1232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SmFeGe2]
_chemical_formula_sum '[Sm4 Fe4 Ge8]'
_cell_volume [294.9529]
_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  0.1712  0.7500  0.8740  1
  Fe  Fe1  4  0.0177  0.2500  0.6115  1
  Ge  Ge2  4  0.1387  0.7500  0.1838  1
  Ge  Ge3  4  0.1755  0.7500  0.5742  1
]