data_[Ta12Nb9Co18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Nb  1.6000  1.4500  0.8200
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9527]
_cell_length_b [4.9527]
_cell_length_c [26.2499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ta4(NbCo2)3]
_chemical_formula_sum '[Ta12 Nb9 Co18]'
_cell_volume [557.6303]
_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
[
  Ta  Ta0  6  0.0000  0.0000  0.1664  1
  Ta  Ta1  6  0.0000  0.0000  0.4497  1
  Nb  Nb2  6  0.0000  0.0000  0.3461  1
  Nb  Nb3  3  0.0000  0.0000  0.0000  1
  Co  Co4  18  0.0070  0.5035  0.4126  1
]