data_[Zr2Al1Ga1Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0982]
_cell_length_b [4.0982]
_cell_length_c [8.0734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Zr2AlGaNi4]
_chemical_formula_sum '[Zr2 Al1 Ga1 Ni4]'
_cell_volume [117.4297]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.2503  1
  Al  Al1  1  0.0000  0.0000  0.0000  1
  Ga  Ga2  1  0.0000  0.0000  0.5000  1
  Ni  Ni3  2  0.3333  0.6667  0.5854  1
  Ni  Ni4  2  0.3333  0.6667  0.9168  1
]