data_[Nb8Zn2Ga4]
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 [P2_1/m]
_cell_length_a [6.4257]
_cell_length_b [5.2933]
_cell_length_c [7.6714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0398]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nb4ZnGa2]
_chemical_formula_sum '[Nb8 Zn2 Ga4]'
_cell_volume [245.1307]
_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  0.3504  0.5061  0.7947  1
  Nb  Nb1  2  0.1882  0.2500  0.1339  1
  Nb  Nb2  2  0.4504  0.7500  0.4764  1
  Zn  Zn3  2  0.0212  0.7500  0.2529  1
  Ga  Ga4  2  0.0900  0.2500  0.4485  1
  Ga  Ga5  2  0.2606  0.7500  0.0732  1
]