data_[Er1Al1Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Al  1.6100  1.2500  0.6750
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.6669]
_cell_length_b [3.6120]
_cell_length_c [8.8418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ErAlAu4]
_chemical_formula_sum '[Er1 Al1 Au4]'
_cell_volume [116.5309]
_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  0.5000  0.0000  1.0
  Al  Al1  1  0.5000  0.0000  0.5000  1.0
  Au  Au2  2  0.0806  0.5000  0.3482  1.0
  Au  Au3  2  0.4573  0.0000  0.8196  1.0
]