data_[Hf2Be12Cu12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.4363]
_cell_length_b [7.9111]
_cell_length_c [7.9207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Hf(BeCu)6]
_chemical_formula_sum '[Hf2 Be12 Cu12]'
_cell_volume [277.9859]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1
  Be  Be1  8  0.2500  0.2500  0.2500  1
  Be  Be2  4  0.0000  0.5000  0.2688  1
  Cu  Cu3  4  0.0000  0.0000  0.3461  1
  Cu  Cu4  4  0.0000  0.3035  0.5000  1
  Cu  Cu5  4  0.0000  0.3482  0.0000  1
]