data_[Hf8Be8Ga12]
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
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9281]
_cell_length_b [17.1256]
_cell_length_c [6.3186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf2Be2Ga3]
_chemical_formula_sum '[Hf8 Be8 Ga12]'
_cell_volume [425.0654]
_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  4  0.0000  0.0509  0.2500  1
  Hf  Hf1  4  0.0000  0.1583  0.7500  1
  Be  Be2  8  0.0000  0.3123  0.5710  1
  Ga  Ga3  8  0.0000  0.4336  0.0578  1
  Ga  Ga4  4  0.0000  0.2210  0.2500  1
]