# generated using pymatgen
data_Zr6AlPN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91572314
_cell_length_b   5.91572417
_cell_length_c   8.64990217
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.40642764
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6AlPN2
_chemical_formula_sum   'Zr6 Al1 P1 N2'
_cell_volume   167.48894073
_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
  Zr  Zr0  1  0.94990951  0.05009049  0.75000000  1.0
  Zr  Zr1  1  0.06581462  0.93418538  0.25000000  1.0
  Zr  Zr2  1  0.62739608  0.37260392  0.54453557  1.0
  Zr  Zr3  1  0.36767304  0.63232696  0.43911552  1.0
  Zr  Zr4  1  0.36767304  0.63232696  0.06088448  1.0
  Zr  Zr5  1  0.62739608  0.37260392  0.95546443  1.0
  Al  Al6  1  0.25322847  0.74677153  0.75000000  1.0
  P  P7  1  0.74393449  0.25606551  0.25000000  1.0
  N  N8  1  0.99848634  0.00151366  0.49445692  1.0
  N  N9  1  0.99848634  0.00151366  0.00554308  1.0