# generated using pymatgen
data_Zr3Ta2Al3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03107398
_cell_length_b   8.03107502
_cell_length_c   5.48782257
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Ta2Al3N
_chemical_formula_sum   'Zr6 Ta4 Al6 N2'
_cell_volume   306.53356667
_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
  Zr  Zr0  1  0.22983315  0.00000000  0.25000000  1.0
  Zr  Zr1  1  0.77016685  1.00000000  0.75000000  1.0
  Zr  Zr2  1  0.00000000  0.22983315  0.25000000  1.0
  Zr  Zr3  1  1.00000000  0.77016685  0.75000000  1.0
  Zr  Zr4  1  0.77016685  0.77016685  0.25000000  1.0
  Zr  Zr5  1  0.22983315  0.22983315  0.75000000  1.0
  Ta  Ta6  1  0.33333300  0.66666700  0.00000000  1.0
  Ta  Ta7  1  0.66666700  0.33333300  0.00000000  1.0
  Ta  Ta8  1  0.66666700  0.33333300  0.50000000  1.0
  Ta  Ta9  1  0.33333300  0.66666700  0.50000000  1.0
  Al  Al10  1  0.58702997  0.00000000  0.25000000  1.0
  Al  Al11  1  0.41297003  1.00000000  0.75000000  1.0
  Al  Al12  1  0.00000000  0.58702997  0.25000000  1.0
  Al  Al13  1  1.00000000  0.41297003  0.75000000  1.0
  Al  Al14  1  0.41297003  0.41297003  0.25000000  1.0
  Al  Al15  1  0.58702997  0.58702997  0.75000000  1.0
  N  N16  1  0.00000000  0.00000000  0.00000000  1.0
  N  N17  1  0.00000000  0.00000000  0.50000000  1.0