data_[Er4Cu3Au1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cu  1.9000  1.3500  0.8200
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.7062]
_cell_length_b [4.5030]
_cell_length_c [10.3965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Er4Cu3Au]
_chemical_formula_sum '[Er4 Cu3 Au1]'
_cell_volume [173.5087]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.1426  1.0
  Er  Er1  1  0.0000  0.5000  0.8539  1.0
  Er  Er2  1  0.5000  0.0000  0.6381  1.0
  Er  Er3  1  0.5000  0.5000  0.3666  1.0
  Cu  Cu4  1  0.0000  0.0000  0.4282  1.0
  Cu  Cu5  1  0.0000  0.5000  0.5732  1.0
  Cu  Cu6  1  0.5000  0.0000  0.9182  1.0
  Au  Au7  1  0.5000  0.5000  0.0791  1.0
]