data_[Nb2Al10Ga2]
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 [Imm2]
_cell_length_a [6.8167]
_cell_length_b [9.5219]
_cell_length_c [5.3450]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [NbAl5Ga]
_chemical_formula_sum '[Nb2 Al10 Ga2]'
_cell_volume [346.9284]
_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  0.0000  0.5000  0.8515  1
  Al  Al1  4  0.0000  0.2370  0.9468  1
  Al  Al2  4  0.1796  0.0000  0.6051  1
  Al  Al3  2  0.0000  0.5000  0.3546  1
  Ga  Ga4  2  0.0000  0.0000  0.1594  1
]