data_[Hf3Be3Co3]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [6.4534]
_cell_length_b [6.4534]
_cell_length_c [3.3623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [HfBeCo]
_chemical_formula_sum '[Hf3 Be3 Co3]'
_cell_volume [121.2672]
_cell_formula_units_Z [3]
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  3  0.0000  0.5916  0.5000  1
  Be  Be1  3  0.0000  0.2407  0.0000  1
  Co  Co2  2  0.3333  0.6667  0.0000  1
  Co  Co3  1  0.0000  0.0000  0.5000  1
]