data_[Er6Co2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.1620]
_cell_length_b [6.6892]
_cell_length_c [8.5877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Er3CoAu]
_chemical_formula_sum '[Er6 Co2 Au2]'
_cell_volume [239.0870]
_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  4  0.0000  0.2467  0.3441  1.0
  Er  Er1  2  0.0000  0.0000  0.9313  1.0
  Co  Co2  2  0.0000  0.0000  0.6136  1.0
  Au  Au3  2  0.0000  0.5000  0.8317  1.0
]