data_[Hf1Ta1Be10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.3870]
_cell_length_b [4.4819]
_cell_length_c [7.7444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [HfTaBe10]
_chemical_formula_sum '[Hf1 Ta1 Be10]'
_cell_volume [117.5620]
_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  1  0.0000  0.5000  0.5000  1
  Ta  Ta1  1  0.0000  0.0000  0.0000  1
  Be  Be2  4  0.5000  0.2459  0.2427  1
  Be  Be3  2  0.0000  0.0000  0.3284  1
  Be  Be4  2  0.0000  0.5000  0.1585  1
  Be  Be5  1  0.5000  0.0000  0.5000  1
  Be  Be6  1  0.5000  0.5000  0.0000  1
]