data_[Sm6Ho6Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.8411]
_cell_length_b [11.7553]
_cell_length_c [11.5392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sm3Ho3Au4]
_chemical_formula_sum '[Sm6 Ho6 Au8]'
_cell_volume [521.0383]
_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  0.5000  0.1649  0.5034  1
  Sm  Sm1  2  0.5000  0.0000  0.1614  1
  Ho  Ho2  4  0.0000  0.2491  0.2523  1
  Ho  Ho3  2  0.5000  0.0000  0.8332  1
  Au  Au4  4  0.0000  0.1303  0.9944  1
  Au  Au5  2  0.0000  0.0000  0.3691  1
  Au  Au6  2  0.0000  0.0000  0.6362  1
]