data_[Zr4Be4Nb2Ru10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Be  1.5700  1.0500  0.5900
  Nb  1.6000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.5257]
_cell_length_b [9.5257]
_cell_length_c [3.2162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Zr2Be2NbRu5]
_chemical_formula_sum '[Zr4 Be4 Nb2 Ru10]'
_cell_volume [291.8390]
_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
[
  Zr  Zr0  4  0.1730  0.3270  0.0000  1
  Be  Be1  4  0.1221  0.6221  0.0000  1
  Nb  Nb2  2  0.0000  0.0000  0.0000  1
  Ru  Ru3  8  0.0723  0.7897  0.5000  1
  Ru  Ru4  2  0.0000  0.5000  0.5000  1
]