data_[Er6Si8Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Si  1.9000  1.1000  0.5400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7332]
_cell_length_b [4.1875]
_cell_length_c [8.1990]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1209]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(Si2Au)2]
_chemical_formula_sum '[Er6 Si8 Au4]'
_cell_volume [358.8848]
_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  0.1624  0.5000  0.6733  1.0
  Er  Er1  2  0.0000  0.0000  0.0000  1.0
  Si  Si2  4  0.0553  0.0000  0.3935  1.0
  Si  Si3  4  0.2241  0.5000  0.0540  1.0
  Au  Au4  4  0.1144  0.5000  0.2811  1.0
]