data_[Sm4Fe2Ge8]
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 [Amm2]
_cell_length_a [4.2237]
_cell_length_b [4.2671]
_cell_length_c [15.8125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sm2FeGe4]
_chemical_formula_sum '[Sm4 Fe2 Ge8]'
_cell_volume [284.9924]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.8968  1.0
  Sm  Sm1  2  0.5000  0.0000  0.1006  1.0
  Fe  Fe2  2  0.0000  0.0000  0.6956  1.0
  Ge  Ge3  2  0.0000  0.0000  0.2571  1.0
  Ge  Ge4  2  0.0000  0.0000  0.5483  1.0
  Ge  Ge5  2  0.5000  0.0000  0.4418  1.0
  Ge  Ge6  2  0.5000  0.0000  0.7537  1.0
]