data_[Er4Hf8Zr24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.0174]
_cell_length_b [13.3551]
_cell_length_c [6.0753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1400]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Er(HfZr3)2]
_chemical_formula_sum '[Er4 Hf8 Zr24]'
_cell_volume [862.8786]
_cell_formula_units_Z [4]
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  0.0965  0.7500  1
  Hf  Hf1  8  0.1425  0.4866  0.8651  1
  Zr  Zr2  8  0.0471  0.3146  0.5221  1
  Zr  Zr3  8  0.1495  0.1095  0.3230  1
  Zr  Zr4  8  0.2323  0.3116  0.1954  1
]