# generated using pymatgen
data_TiNb3(CuSi)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66626396
_cell_length_b   6.27939266
_cell_length_c   7.24618833
_cell_angle_alpha   89.90233487
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNb3(CuSi)4
_chemical_formula_sum   'Ti1 Nb3 Cu4 Si4'
_cell_volume   166.82086031
_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  0.25000000  0.51846819  0.66832334  1.0
  Nb  Nb1  1  0.75000000  0.48143766  0.33121265  1.0
  Nb  Nb2  1  0.25000000  0.01790135  0.83150729  1.0
  Nb  Nb3  1  0.75000000  0.98066748  0.16851276  1.0
  Cu  Cu4  1  0.25000000  0.65205147  0.06722218  1.0
  Cu  Cu5  1  0.25000000  0.15179895  0.43314270  1.0
  Cu  Cu6  1  0.75000000  0.84680823  0.56943581  1.0
  Cu  Cu7  1  0.75000000  0.34917636  0.92986733  1.0
  Si  Si8  1  0.25000000  0.27921789  0.12394212  1.0
  Si  Si9  1  0.25000000  0.77791335  0.37910770  1.0
  Si  Si10  1  0.75000000  0.71910806  0.87480110  1.0
  Si  Si11  1  0.75000000  0.22545100  0.62292504  1.0