data_[Hf4Zr4Fe4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0046]
_cell_length_b [3.9904]
_cell_length_c [9.6249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.2718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfZrFeGe2]
_chemical_formula_sum '[Hf4 Zr4 Fe4 Ge8]'
_cell_volume [338.4142]
_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
[
  Hf  Hf0  4  0.0051  0.0000  0.3315  1
  Zr  Zr1  4  0.1847  0.0000  0.0997  1
  Fe  Fe2  4  0.2223  0.5000  0.3756  1
  Ge  Ge3  4  0.0168  0.5000  0.8715  1
  Ge  Ge4  4  0.1482  0.5000  0.5772  1
]