# generated using pymatgen
data_TiNb(ReSi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51962993
_cell_length_b   7.56374878
_cell_length_c   7.51962906
_cell_angle_alpha   125.96599077
_cell_angle_beta   128.26285880
_cell_angle_gamma   77.94820027
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb(ReSi)2
_chemical_formula_sum   'Ti3 Nb3 Re6 Si6'
_cell_volume   263.59777206
_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
  Ti  Ti0  1  0.55096807  0.09389040  0.04292133  1.0
  Ti  Ti1  1  0.44886176  0.49320253  0.54434078  1.0
  Ti  Ti2  1  0.95049357  0.49559839  0.04510482  1.0
  Nb  Nb3  1  0.04936160  0.09063249  0.54127189  1.0
  Nb  Nb4  1  0.75318916  0.90416508  0.65097592  1.0
  Nb  Nb5  1  0.24934470  0.89976734  0.15042264  1.0
  Re  Re6  1  0.50175044  0.24174860  0.74273636  1.0
  Re  Re7  1  0.99901123  0.24174860  0.23999716  1.0
  Re  Re8  1  0.13102263  0.75392230  0.62642221  1.0
  Re  Re9  1  0.86873931  0.49607543  0.62588849  1.0
  Re  Re10  1  0.62749909  0.75392230  0.12289967  1.0
  Re  Re11  1  0.37018694  0.49607543  0.12733712  1.0
  Si  Si12  1  0.74992989  0.49834416  0.24841426  1.0
  Si  Si13  1  0.24933697  0.49677769  0.74743972  1.0
  Si  Si14  1  0.33606670  0.82582163  0.49893009  1.0
  Si  Si15  1  0.66493015  0.16734350  0.49492825  1.0
  Si  Si16  1  0.82689055  0.82582163  0.98975393  1.0
  Si  Si17  1  0.17241625  0.16734350  0.00241336  1.0