data_[Nb2Al2Ga4]
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 [P2_1/m]
_cell_length_a [5.6833]
_cell_length_b [4.1963]
_cell_length_c [5.7481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6683]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbAlGa2]
_chemical_formula_sum '[Nb2 Al2 Ga4]'
_cell_volume [133.2035]
_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  2  0.3018  0.2500  0.5800  1
  Al  Al1  2  0.1712  0.7500  0.2652  1
  Ga  Ga2  2  0.1082  0.7500  0.8021  1
  Ga  Ga3  2  0.3998  0.2500  0.1068  1
]