data_[Hf4Be2Co2]
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 [P2_1/m]
_cell_length_a [5.3023]
_cell_length_b [4.0366]
_cell_length_c [6.4521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.9545]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Hf2BeCo]
_chemical_formula_sum '[Hf4 Be2 Co2]'
_cell_volume [126.2042]
_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  0.1838  0.7500  0.4134  1
  Hf  Hf1  2  0.2863  0.2500  0.0795  1
  Be  Be2  2  0.3633  0.2500  0.7033  1
  Co  Co3  2  0.1593  0.7500  0.7912  1
]