data_[Sm4Si6Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0291]
_cell_length_b [4.0767]
_cell_length_c [15.2359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Sm2Si3Ge]
_chemical_formula_sum '[Sm4 Si6 Ge2]'
_cell_volume [250.2548]
_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  0.1216  1.0
  Sm  Sm1  2  0.0000  0.5000  0.8769  1.0
  Si  Si2  2  0.0000  0.0000  0.5372  1.0
  Si  Si3  2  0.0000  0.5000  0.3003  1.0
  Si  Si4  2  0.0000  0.5000  0.4583  1.0
  Ge  Ge5  2  0.0000  0.0000  0.7058  1.0
]