data_[Sm16Ga2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.3898]
_cell_length_b [5.2078]
_cell_length_c [7.0323]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6649]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8GaAu2]
_chemical_formula_sum '[Sm16 Ga2 Au4]'
_cell_volume [645.1958]
_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  4  0.0259  0.0000  0.7791  1.0
  Sm  Sm1  4  0.0909  0.5000  0.4612  1.0
  Sm  Sm2  4  0.1694  0.5000  0.9843  1.0
  Sm  Sm3  4  0.1987  0.0000  0.3293  1.0
  Ga  Ga4  2  0.0000  0.5000  0.0000  1.0
  Au  Au5  4  0.1794  0.0000  0.7308  1.0
]