data_[Nb4Al16Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.9044]
_cell_length_b [13.9553]
_cell_length_c [5.8512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NbAl4Ga]
_chemical_formula_sum '[Nb4 Al16 Ga4]'
_cell_volume [400.4754]
_cell_formula_units_Z [4]
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  0.1596  0.9475  1
  Al  Al1  4  0.0000  0.0019  0.6949  1
  Al  Al2  4  0.0000  0.1787  0.4450  1
  Al  Al3  4  0.0000  0.3386  0.1779  1
  Al  Al4  4  0.0000  0.4846  0.4517  1
  Ga  Ga5  4  0.0000  0.3365  0.7165  1
]