# generated using pymatgen
data_TiNb5(AsC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64459926
_cell_length_b   5.64459832
_cell_length_c   8.17541998
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.41933298
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb5(AsC)2
_chemical_formula_sum   'Ti1 Nb5 As2 C2'
_cell_volume   147.84021137
_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  0.55465050  0.44534950  0.75000000  1.0
  Nb  Nb1  1  0.13111725  0.86888275  0.05490429  1.0
  Nb  Nb2  1  0.44672142  0.55327858  0.25000000  1.0
  Nb  Nb3  1  0.13111725  0.86888275  0.44509571  1.0
  Nb  Nb4  1  0.86985570  0.13014430  0.55674581  1.0
  Nb  Nb5  1  0.86985570  0.13014430  0.94325419  1.0
  As  As6  1  0.75890600  0.24109400  0.25000000  1.0
  As  As7  1  0.23665348  0.76334652  0.75000000  1.0
  C  C8  1  0.50056135  0.49943865  0.99463630  1.0
  C  C9  1  0.50056135  0.49943865  0.50536370  1.0