data_[Er4Pt2Au2]
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 [Pmc2_1]
_cell_length_a [4.6340]
_cell_length_b [5.5814]
_cell_length_c [6.9622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Er2PtAu]
_chemical_formula_sum '[Er4 Pt2 Au2]'
_cell_volume [180.0700]
_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
[
  Er  Er0  2  0.0000  0.3966  0.1816  1.0
  Er  Er1  2  0.5000  0.1207  0.8194  1.0
  Pt  Pt2  2  0.5000  0.3999  0.4569  1.0
  Au  Au3  2  0.0000  0.0965  0.5421  1.0
]