data_[Nb4Zn2Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7230]
_cell_length_b [4.7230]
_cell_length_c [13.0717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Nb2ZnGa4]
_chemical_formula_sum '[Nb4 Zn2 Ga8]'
_cell_volume [291.5808]
_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
[
  Nb  Nb0  4  0.0000  0.0000  0.3968  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.0000  0.1892  1
  Ga  Ga3  4  0.0000  0.5000  0.0000  1
]