data_[Sm2Bi4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.6487]
_cell_length_b [4.6487]
_cell_length_c [9.9511]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [SmBi2Au]
_chemical_formula_sum '[Sm2 Bi4 Au2]'
_cell_volume [215.0524]
_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  0.0000  0.5000  0.2321  1
  Bi  Bi1  2  0.0000  0.0000  0.5000  1
  Bi  Bi2  2  0.0000  0.5000  0.8054  1
  Au  Au3  2  0.0000  0.0000  0.0000  1
]