data_[Zr2Ni2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4464]
_cell_length_b [4.4464]
_cell_length_c [5.4317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [ZrNiRu]
_chemical_formula_sum '[Zr2 Ni2 Ru2]'
_cell_volume [93.0011]
_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  1  0.3333  0.6667  0.4204  1
  Zr  Zr1  1  0.6667  0.3333  0.0066  1
  Ni  Ni2  1  0.0000  0.0000  0.7216  1
  Ni  Ni3  1  0.3333  0.6667  0.9123  1
  Ru  Ru4  1  0.0000  0.0000  0.2131  1
  Ru  Ru5  1  0.6667  0.3333  0.5097  1
]