data_[Sm3Mn1Fe3Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.9106]
_cell_length_b [6.9106]
_cell_length_c [4.3074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Sm3MnFe3Ge2]
_chemical_formula_sum '[Sm3 Mn1 Fe3 Ge2]'
_cell_volume [178.1462]
_cell_formula_units_Z [1]
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  3  0.0000  0.4137  0.0000  1
  Mn  Mn1  1  0.0000  0.0000  0.0000  1
  Fe  Fe2  3  0.0000  0.7959  0.5000  1
  Ge  Ge3  2  0.3333  0.6667  0.5000  1
]