data_[Er2Mg4Au16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Mg  1.3100  1.5000  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1193]
_cell_length_b [4.2099]
_cell_length_c [6.7525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er(MgAu4)2]
_chemical_formula_sum '[Er2 Mg4 Au16]'
_cell_volume [411.7985]
_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
  Mg  Mg1  4  0.2223  0.0000  0.6557  1.0
  Au  Au2  4  0.0422  0.0000  0.7223  1.0
  Au  Au3  4  0.1044  0.5000  0.4590  1.0
  Au  Au4  4  0.1434  0.0000  0.1986  1.0
  Au  Au5  4  0.1812  0.5000  0.9092  1.0
]