data_[Zr9Zn6Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.6008]
_cell_length_b [4.6008]
_cell_length_c [23.0947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Zr3(ZnGa)2]
_chemical_formula_sum '[Zr9 Zn6 Ga6]'
_cell_volume [423.3548]
_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  3  0.0000  0.0000  0.1290  1
  Zr  Zr1  3  0.0000  0.0000  0.3748  1
  Zr  Zr2  3  0.0000  0.0000  0.6198  1
  Zn  Zn3  3  0.0000  0.0000  0.2465  1
  Zn  Zn4  3  0.0000  0.0000  0.7563  1
  Ga  Ga5  3  0.0000  0.0000  0.5016  1
  Ga  Ga6  3  0.0000  0.0000  0.9970  1
]