# generated using pymatgen
data_Zr6SiPN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79989391
_cell_length_b   5.79989246
_cell_length_c   8.50356362
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.18029301
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6SiPN2
_chemical_formula_sum   'Zr6 Si1 P1 N2'
_cell_volume   163.33302268
_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  0.63338815  0.36661185  0.94205952  1.0
  Zr  Zr1  1  0.36841479  0.63158521  0.44709153  1.0
  Zr  Zr2  1  0.36841479  0.63158521  0.05290847  1.0
  Zr  Zr3  1  0.63338815  0.36661185  0.55794048  1.0
  Zr  Zr4  1  0.93467112  0.06532888  0.75000000  1.0
  Zr  Zr5  1  0.05943349  0.94056651  0.25000000  1.0
  Si  Si6  1  0.74560465  0.25439535  0.25000000  1.0
  P  P7  1  0.25465116  0.74534884  0.75000000  1.0
  N  N8  1  0.00101585  0.99898415  0.99756491  1.0
  N  N9  1  0.00101585  0.99898415  0.50243509  1.0