data_[Sm16Ge2Sb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.3082]
_cell_length_b [9.3082]
_cell_length_c [9.4102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Sm8GeSb5]
_chemical_formula_sum '[Sm16 Ge2 Sb10]'
_cell_volume [815.3292]
_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  8  0.0701  0.3236  0.5496  1
  Sm  Sm1  8  0.0706  0.1913  0.1978  1
  Ge  Ge2  2  0.0000  0.5000  0.2500  1
  Sb  Sb3  8  0.1211  0.2483  0.8726  1
  Sb  Sb4  2  0.0000  0.0000  0.5000  1
]