data_[Sm4Ga10Au2]
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 [I4mm]
_cell_length_a [6.1210]
_cell_length_b [6.1210]
_cell_length_c [8.8957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Sm2Ga5Au]
_chemical_formula_sum '[Sm4 Ga10 Au2]'
_cell_volume [333.2965]
_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  0.0000  0.5000  0.2314  1.0
  Ga  Ga1  8  0.2253  0.2253  0.4802  1.0
  Ga  Ga2  2  0.0000  0.0000  0.7627  1.0
  Au  Au3  2  0.0000  0.0000  0.1315  1.0
]