# generated using pymatgen
data_Ti3Nb13(Cu2C)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29078415
_cell_length_b   8.29078516
_cell_length_c   8.30870759
_cell_angle_alpha   60.07133569
_cell_angle_beta   60.07133289
_cell_angle_gamma   59.99999928
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb13(Cu2C)4
_chemical_formula_sum   'Ti3 Nb13 Cu8 C4'
_cell_volume   404.27526291
_cell_formula_units_Z   1
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
  Ti  Ti0  1  0.12500000  0.62500000  0.62500000  1.0
  Ti  Ti1  1  0.62500000  0.12500000  0.62500000  1.0
  Ti  Ti2  1  0.62500000  0.62500000  0.62500000  1.0
  Nb  Nb3  1  0.62500000  0.62500000  0.12500000  1.0
  Nb  Nb4  1  0.81641982  0.81641982  0.18214132  1.0
  Nb  Nb5  1  0.18216115  0.18216115  0.81789818  1.0
  Nb  Nb6  1  0.81777951  0.18216115  0.81789818  1.0
  Nb  Nb7  1  0.18501904  0.81641982  0.18214132  1.0
  Nb  Nb8  1  0.18216115  0.81777951  0.81789818  1.0
  Nb  Nb9  1  0.81641982  0.18501904  0.18214132  1.0
  Nb  Nb10  1  0.43358018  0.43358018  0.06785868  1.0
  Nb  Nb11  1  0.06783885  0.06783885  0.43210182  1.0
  Nb  Nb12  1  0.43222049  0.06783885  0.43210182  1.0
  Nb  Nb13  1  0.06498096  0.43358018  0.06785868  1.0
  Nb  Nb14  1  0.06783885  0.43222049  0.43210182  1.0
  Nb  Nb15  1  0.43358018  0.06498096  0.06785868  1.0
  Cu  Cu16  1  0.73984715  0.41687120  0.42640945  1.0
  Cu  Cu17  1  0.41687120  0.73984715  0.42640945  1.0
  Cu  Cu18  1  0.41943554  0.41943554  0.74169439  1.0
  Cu  Cu19  1  0.41687120  0.41687120  0.42640945  1.0
  Cu  Cu20  1  0.51015285  0.83312880  0.82359055  1.0
  Cu  Cu21  1  0.83312880  0.51015285  0.82359055  1.0
  Cu  Cu22  1  0.83056446  0.83056446  0.50830561  1.0
  Cu  Cu23  1  0.83312880  0.83312880  0.82359055  1.0
  C  C24  1  0.62500000  0.12500000  0.12500000  1.0
  C  C25  1  0.12500000  0.62500000  0.12500000  1.0
  C  C26  1  0.12500000  0.12500000  0.62500000  1.0
  C  C27  1  0.12500000  0.12500000  0.12500000  1.0