data_[Sm2Fe2Ge4]
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 [P2_1/m]
_cell_length_a [4.3902]
_cell_length_b [4.2408]
_cell_length_c [8.2061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmFeGe2]
_chemical_formula_sum '[Sm2 Fe2 Ge4]'
_cell_volume [148.1884]
_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  0.3780  0.7500  0.7900  1.0
  Fe  Fe1  2  0.1194  0.7500  0.3901  1.0
  Ge  Ge2  2  0.0659  0.7500  0.1012  1.0
  Ge  Ge3  2  0.3146  0.2500  0.5005  1.0
]