data_[Er2Ga4Au16]
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 [C2/m]
_cell_length_a [15.2044]
_cell_length_b [4.0298]
_cell_length_c [6.9694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er(GaAu4)2]
_chemical_formula_sum '[Er2 Ga4 Au16]'
_cell_volume [410.0921]
_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  2  0.0000  0.5000  0.0000  1.0
  Ga  Ga1  4  0.2220  0.0000  0.6629  1.0
  Au  Au2  4  0.0378  0.0000  0.7144  1.0
  Au  Au3  4  0.1098  0.5000  0.4558  1.0
  Au  Au4  4  0.1430  0.0000  0.1842  1.0
  Au  Au5  4  0.1785  0.5000  0.8985  1.0
]