data_[Er20Pt8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.7011]
_cell_length_b [7.7011]
_cell_length_c [13.0810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Er5Pt2Au]
_chemical_formula_sum '[Er20 Pt8 Au4]'
_cell_volume [775.7996]
_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
[
  Er  Er0  16  0.1614  0.3386  0.6411  1
  Er  Er1  4  0.0000  0.0000  0.0000  1
  Pt  Pt2  8  0.1367  0.3633  0.0000  1
  Au  Au3  4  0.0000  0.0000  0.2500  1
]