data_[Er6Ga16Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3434]
_cell_length_b [9.6209]
_cell_length_c [12.7207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Er3Ga8Au3]
_chemical_formula_sum '[Er6 Ga16 Au6]'
_cell_volume [531.5565]
_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  0.0000  0.1973  1.0
  Er  Er1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  8  0.0000  0.2818  0.3572  1.0
  Ga  Ga3  8  0.0000  0.3713  0.1589  1.0
  Au  Au4  4  0.0000  0.1993  0.0000  1.0
  Au  Au5  2  0.0000  0.5000  0.5000  1.0
]