data_[Hf6Be8Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5184]
_cell_length_b [3.6770]
_cell_length_c [7.2929]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf3(Be2Si)2]
_chemical_formula_sum '[Hf6 Be8 Si4]'
_cell_volume [248.6975]
_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  4  0.1657  0.5000  0.6685  1
  Hf  Hf1  2  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.0516  0.0000  0.3920  1
  Be  Be3  4  0.2280  0.5000  0.0525  1
  Si  Si4  4  0.1129  0.5000  0.2770  1
]