data_[Hf2Be22Co2]
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 [C2/m]
_cell_length_a [4.2491]
_cell_length_b [10.6907]
_cell_length_c [5.6663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HfBe11Co]
_chemical_formula_sum '[Hf2 Be22 Co2]'
_cell_volume [240.1448]
_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  0.1107  0.3872  0.2213  1
  Be  Be2  8  0.1612  0.1769  0.3543  1
  Be  Be3  4  0.2500  0.2500  0.0000  1
  Be  Be4  2  0.0000  0.5000  0.5000  1
  Co  Co5  2  0.0000  0.0000  0.5000  1
]