# generated using pymatgen
data_Ta5NbCN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33933333
_cell_length_b   5.33966933
_cell_length_c   4.93326820
_cell_angle_alpha   89.89852599
_cell_angle_beta   89.82570402
_cell_angle_gamma   120.03663173
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta5NbCN2
_chemical_formula_sum   'Ta5 Nb1 C1 N2'
_cell_volume   121.75902882
_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
  Ta  Ta0  1  0.00058986  0.33682906  0.75453531  1.0
  Ta  Ta1  1  0.33599168  0.99854881  0.75458173  1.0
  Ta  Ta2  1  0.33622309  0.33661219  0.24872148  1.0
  Ta  Ta3  1  0.00029556  0.66337136  0.24404813  1.0
  Ta  Ta4  1  0.66274255  0.99899735  0.24459690  1.0
  Nb  Nb5  1  0.66249272  0.66283918  0.75510545  1.0
  C  C6  1  0.66762757  0.33134572  0.49884140  1.0
  N  N7  1  0.33026928  0.66756413  0.49782888  1.0
  N  N8  1  0.00376768  0.00389320  0.00174272  1.0