data_[Nb3Ga9Co12]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1673]
_cell_length_b [4.1673]
_cell_length_c [20.2117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NbGa3Co4]
_chemical_formula_sum '[Nb3 Ga9 Co12]'
_cell_volume [303.9776]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ga  Ga1  6  0.0000  0.0000  0.2508  1
  Ga  Ga2  3  -0.0000  -0.0000  0.5000  1
  Co  Co3  6  0.0000  0.0000  0.1262  1
  Co  Co4  6  0.0000  0.0000  0.3764  1
]