# generated using pymatgen
data_TiNb7(Cu2C)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30837737
_cell_length_b   8.30837805
_cell_length_c   8.32069583
_cell_angle_alpha   59.95093680
_cell_angle_beta   59.95093408
_cell_angle_gamma   59.91210440
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb7(Cu2C)2
_chemical_formula_sum   'Ti2 Nb14 Cu8 C4'
_cell_volume   405.56992720
_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
  Ti  Ti0  1  0.12500000  0.62500000  0.62500000  1.0
  Ti  Ti1  1  0.62500000  0.12500000  0.62500000  1.0
  Nb  Nb2  1  0.62500000  0.62500000  0.12500000  1.0
  Nb  Nb3  1  0.62500000  0.62500000  0.62500000  1.0
  Nb  Nb4  1  0.81571874  0.81571874  0.18428126  1.0
  Nb  Nb5  1  0.18245938  0.18245938  0.81754062  1.0
  Nb  Nb6  1  0.81649398  0.18501485  0.81646762  1.0
  Nb  Nb7  1  0.18501485  0.81649398  0.18202355  1.0
  Nb  Nb8  1  0.18501485  0.81649398  0.81646762  1.0
  Nb  Nb9  1  0.81649398  0.18501485  0.18202355  1.0
  Nb  Nb10  1  0.43428126  0.43428126  0.06571874  1.0
  Nb  Nb11  1  0.06754062  0.06754062  0.43245938  1.0
  Nb  Nb12  1  0.43350602  0.06498515  0.43353238  1.0
  Nb  Nb13  1  0.06498515  0.43350602  0.06797645  1.0
  Nb  Nb14  1  0.06498515  0.43350602  0.43353238  1.0
  Nb  Nb15  1  0.43350602  0.06498515  0.06797645  1.0
  Cu  Cu16  1  0.74110163  0.41318415  0.42285661  1.0
  Cu  Cu17  1  0.41318415  0.74110163  0.42285661  1.0
  Cu  Cu18  1  0.41578162  0.41578162  0.74269041  1.0
  Cu  Cu19  1  0.41578162  0.41578162  0.42574636  1.0
  Cu  Cu20  1  0.50889837  0.83681585  0.82714339  1.0
  Cu  Cu21  1  0.83681585  0.50889837  0.82714339  1.0
  Cu  Cu22  1  0.83421838  0.83421838  0.50730959  1.0
  Cu  Cu23  1  0.83421838  0.83421838  0.82425364  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