data_[Hf16Be4Co4]
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/c]
_cell_length_a [7.8364]
_cell_length_b [12.3206]
_cell_length_c [5.3915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4BeCo]
_chemical_formula_sum '[Hf16 Be4 Co4]'
_cell_volume [442.1226]
_cell_formula_units_Z [4]
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  8  0.1297  0.1884  0.1009  1
  Hf  Hf1  8  0.2062  0.5680  0.7839  1
  Be  Be2  4  0.0000  0.3678  0.7500  1
  Co  Co3  4  0.0000  0.0007  0.2500  1
]