data_[Zr9Ga6Ni21]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0056]
_cell_length_b [5.0056]
_cell_length_c [23.4588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zr3Ga2Ni7]
_chemical_formula_sum '[Zr9 Ga6 Ni21]'
_cell_volume [509.0444]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.1394  1.0
  Zr  Zr1  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  6  0.0000  0.0000  0.3332  1.0
  Ni  Ni3  18  0.0028  0.5014  0.9153  1.0
  Ni  Ni4  3  -0.0000  -0.0000  0.5000  1.0
]