data_[Y4Sn12Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [12.7569]
_cell_length_b [6.2416]
_cell_length_c [6.2795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [YSn3Au]
_chemical_formula_sum '[Y4 Sn12 Au4]'
_cell_volume [499.9969]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.3070  0.0072  0.7500  1.0
  Sn  Sn1  4  0.0676  0.6379  0.2500  1.0
  Sn  Sn2  4  0.2587  0.5153  0.7500  1.0
  Sn  Sn3  4  0.4991  0.2500  0.0000  1.0
  Au  Au4  4  0.1151  0.2500  0.0000  1.0
]