data_[Er2Zr2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.0967]
_cell_length_b [4.4194]
_cell_length_c [8.8046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7752]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ErZrAu6]
_chemical_formula_sum '[Er2 Zr2 Au12]'
_cell_volume [310.2541]
_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  0.0000  0.0000  1
  Zr  Zr1  2  0.0000  0.0000  0.5000  1
  Au  Au2  4  0.0049  0.5000  0.7478  1
  Au  Au3  4  0.2494  0.5000  0.6195  1
  Au  Au4  4  0.2495  0.0000  0.8684  1
]