data_[Nb2Ga8Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.1527]
_cell_length_b [6.1615]
_cell_length_c [7.4315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8754]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NbGa4Ni]
_chemical_formula_sum '[Nb2 Ga8 Ni2]'
_cell_volume [189.1470]
_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  0.2726  0.2500  0.7401  1
  Ga  Ga1  4  0.2158  0.0314  0.3704  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  Ga  Ga3  2  0.4693  0.7500  0.9057  1
  Ni  Ni4  2  0.2918  0.7500  0.5955  1
]