data_[Ni48Sn8Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.4259]
_cell_length_b [10.5303]
_cell_length_c [10.5096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ni6SnAu]
_chemical_formula_sum '[Ni48 Sn8 Au8]'
_cell_volume [821.8202]
_cell_formula_units_Z [8]
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
[
  Ni  Ni0  16  0.2496  0.3753  0.3747  1
  Ni  Ni1  16  0.2497  0.3747  0.1247  1
  Ni  Ni2  8  0.0000  0.2494  0.2498  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  Ni  Ni4  2  0.0000  0.0000  0.5000  1
  Ni  Ni5  2  0.0000  0.5000  0.0000  1
  Ni  Ni6  2  0.0000  0.5000  0.5000  1
  Sn  Sn7  4  0.0000  0.0000  0.2488  1
  Sn  Sn8  4  0.0000  0.2498  0.5000  1
  Au  Au9  4  0.0000  0.2497  0.0000  1
  Au  Au10  4  0.0000  0.5000  0.2484  1
]