data_[Hf2Be7Co1]
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-4m2]
_cell_length_a [3.5398]
_cell_length_b [3.5398]
_cell_length_c [8.7828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Hf2Be7Co]
_chemical_formula_sum '[Hf2 Be7 Co1]'
_cell_volume [110.0511]
_cell_formula_units_Z [1]
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  0.5000  0.2556  1.0
  Be  Be1  2  0.0000  0.5000  0.6217  1.0
  Be  Be2  2  0.0000  0.5000  0.8595  1.0
  Be  Be3  1  0.0000  0.0000  0.0000  1.0
  Be  Be4  1  0.0000  0.0000  0.5000  1.0
  Be  Be5  1  0.5000  0.5000  0.5000  1.0
  Co  Co6  1  0.5000  0.5000  0.0000  1.0
]