data_[Sm4Ga6Au4]
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 [10.6830]
_cell_length_b [4.4665]
_cell_length_c [6.6919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Ga3Au2]
_chemical_formula_sum '[Sm4 Ga6 Au4]'
_cell_volume [295.7082]
_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  0.1491  0.0000  0.7762  1.0
  Ga  Ga1  4  0.0950  0.5000  0.4274  1.0
  Ga  Ga2  2  0.0000  0.5000  0.0000  1.0
  Au  Au3  4  0.1547  0.0000  0.2512  1.0
]