data_[Er6Si10Au12]
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 [Pmmn]
_cell_length_a [4.2042]
_cell_length_b [12.6705]
_cell_length_c [9.7848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Er3Si5Au6]
_chemical_formula_sum '[Er6 Si10 Au12]'
_cell_volume [521.2297]
_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  0.3258  0.7558  1
  Er  Er1  2  0.0000  0.0000  0.7465  1
  Si  Si2  4  0.0000  0.1226  0.4623  1
  Si  Si3  4  0.0000  0.3389  0.1411  1
  Si  Si4  2  0.0000  0.0000  0.2095  1
  Au  Au5  4  0.0000  0.1611  0.0053  1
  Au  Au6  4  0.0000  0.3166  0.3875  1
  Au  Au7  2  0.0000  0.5000  0.5457  1
  Au  Au8  2  0.0000  0.5000  0.9786  1
]