# generated using pymatgen
data_Nb3Te3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.52269614
_cell_length_b   10.52269688
_cell_length_c   3.58294357
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000218
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Te3As
_chemical_formula_sum   'Nb6 Te6 As2'
_cell_volume   343.57747248
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.62064932  0.12475975  0.75000000  1.0
  Nb  Nb1  1  0.50410843  0.37935068  0.75000000  1.0
  Nb  Nb2  1  0.37935068  0.87524025  0.25000000  1.0
  Nb  Nb3  1  0.87524025  0.49589157  0.75000000  1.0
  Nb  Nb4  1  0.49589157  0.62064932  0.25000000  1.0
  Nb  Nb5  1  0.12475975  0.50410843  0.25000000  1.0
  Te  Te6  1  0.72182391  0.66986504  0.75000000  1.0
  Te  Te7  1  0.27817609  0.33013496  0.25000000  1.0
  Te  Te8  1  0.66986504  0.94804314  0.25000000  1.0
  Te  Te9  1  0.94804314  0.27817609  0.75000000  1.0
  Te  Te10  1  0.05195686  0.72182391  0.25000000  1.0
  Te  Te11  1  0.33013496  0.05195686  0.75000000  1.0
  As  As12  1  0.33333300  0.66666700  0.75000000  1.0
  As  As13  1  0.66666700  0.33333300  0.25000000  1.0