# generated using pymatgen
data_Ti3Nb(As2Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78815531
_cell_length_b   3.52372360
_cell_length_c   12.93158394
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.11912465
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Nb(As2Pd)4
_chemical_formula_sum   'Ti3 Nb1 As8 Pd4'
_cell_volume   263.75019901
_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  0.98516190  0.75000100  0.17005777  1.0
  Ti  Ti1  1  0.48671834  0.75000100  0.33057714  1.0
  Ti  Ti2  1  0.51100592  0.24999900  0.66953207  1.0
  Nb  Nb3  1  0.00891548  0.24999900  0.82980344  1.0
  As  As4  1  0.17323179  0.24999900  0.03757574  1.0
  As  As5  1  0.67089373  0.24999900  0.20812082  1.0
  As  As6  1  0.17121229  0.24999900  0.29284792  1.0
  As  As7  1  0.67263739  0.24999900  0.46352517  1.0
  As  As8  1  0.33129950  0.75000100  0.53436117  1.0
  As  As9  1  0.82965503  0.75000100  0.70139808  1.0
  As  As10  1  0.33592213  0.75000100  0.79444301  1.0
  As  As11  1  0.82512799  0.75000100  0.96654826  1.0
  Pd  Pd12  1  0.47886535  0.75000100  0.09353237  1.0
  Pd  Pd13  1  0.98278534  0.75000100  0.40780725  1.0
  Pd  Pd14  1  0.02036302  0.24999900  0.58998556  1.0
  Pd  Pd15  1  0.51620579  0.24999900  0.90988721  1.0