data_[Sm8Si8Ge4]
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 [C2/m]
_cell_length_a [10.8302]
_cell_length_b [4.2578]
_cell_length_c [10.7317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Si2Ge]
_chemical_formula_sum '[Sm8 Si8 Ge4]'
_cell_volume [441.0703]
_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  0.1015  0.0000  0.9025  1.0
  Sm  Sm1  4  0.2030  0.5000  0.6412  1.0
  Si  Si2  4  0.0267  0.0000  0.4071  1.0
  Si  Si3  4  0.1189  0.5000  0.1034  1.0
  Ge  Ge4  4  0.0662  0.5000  0.3084  1.0
]