data_[Sm4Ge12Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.1756]
_cell_length_b [4.1812]
_cell_length_c [22.2981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sm2Ge6Au]
_chemical_formula_sum '[Sm4 Ge12 Au2]'
_cell_volume [389.3010]
_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  0.5000  0.0000  0.2216  1.0
  Sm  Sm1  2  0.5000  0.0000  0.8811  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0085  1.0
  Ge  Ge3  2  0.0000  0.0000  0.1216  1.0
  Ge  Ge4  2  0.0000  0.0000  0.3278  1.0
  Ge  Ge5  2  0.0000  0.0000  0.7617  1.0
  Ge  Ge6  2  0.5000  0.0000  0.5091  1.0
  Ge  Ge7  2  0.5000  0.0000  0.6218  1.0
  Au  Au8  2  0.0000  0.0000  0.4397  1.0
]