data_[Zr6Ga6Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1502]
_cell_length_b [4.3792]
_cell_length_c [15.6722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Zr3Ga3Ru2]
_chemical_formula_sum '[Zr6 Ga6 Ru4]'
_cell_volume [284.8367]
_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  0.0000  0.5000  0.1416  1.0
  Zr  Zr1  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  4  0.0000  0.5000  0.3539  1.0
  Ga  Ga3  2  0.0000  0.0000  0.5000  1.0
  Ru  Ru4  4  0.0000  0.0000  0.2460  1.0
]