data_[Hf4Be4Sn2Ru10]
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
  Sn  1.9600  1.4500  0.8300
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5024]
_cell_length_b [9.5024]
_cell_length_c [3.2334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Hf2Be2SnRu5]
_chemical_formula_sum '[Hf4 Be4 Sn2 Ru10]'
_cell_volume [291.9631]
_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  0.1749  0.3251  0.0000  1
  Be  Be1  4  0.1220  0.6220  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  8  0.0710  0.7843  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]