data_[Zn4Ga3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.2756]
_cell_length_b [4.2756]
_cell_length_c [20.7659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Zn4Ga3]
_chemical_formula_sum '[Zn4 Ga3]'
_cell_volume [328.7509]
_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
[
  Zn  Zn0  2  0.0000  0.0000  0.3751  1
  Zn  Zn1  2  0.3333  0.6667  0.4335  1
  Ga  Ga2  2  0.3333  0.6667  0.6388  1
  Ga  Ga3  1  0.0000  0.0000  0.5000  1
]