# generated using pymatgen
data_Zr12P4C3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80833260
_cell_length_b   5.80833355
_cell_length_c   17.14746553
_cell_angle_alpha   89.72685709
_cell_angle_beta   89.72685698
_cell_angle_gamma   34.75502916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr12P4C3O
_chemical_formula_sum   'Zr12 P4 C3 O1'
_cell_volume   329.78043040
_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  0.86498071  0.86498071  0.22297934  1.0
  Zr  Zr1  1  0.86865840  0.86865840  0.71832240  1.0
  Zr  Zr2  1  0.13134160  0.13134160  0.28167760  1.0
  Zr  Zr3  1  0.13501929  0.13501929  0.77702066  1.0
  Zr  Zr4  1  0.86698817  0.86698817  0.02894734  1.0
  Zr  Zr5  1  0.86038581  0.86038581  0.52848621  1.0
  Zr  Zr6  1  0.13961419  0.13961419  0.47151379  1.0
  Zr  Zr7  1  0.13301183  0.13301183  0.97105266  1.0
  Zr  Zr8  1  0.56469922  0.56469922  0.12624872  1.0
  Zr  Zr9  1  0.56669978  0.56669978  0.62324810  1.0
  Zr  Zr10  1  0.43330022  0.43330022  0.37675190  1.0
  Zr  Zr11  1  0.43530078  0.43530078  0.87375128  1.0
  P  P12  1  0.24533312  0.24533312  0.12551641  1.0
  P  P13  1  0.24623359  0.24623359  0.62353951  1.0
  P  P14  1  0.75376641  0.75376641  0.37646049  1.0
  P  P15  1  0.75466688  0.75466688  0.87448359  1.0
  C  C16  1  0.49731747  0.49731747  0.25246579  1.0
  C  C17  1  0.50268253  0.50268253  0.74753421  1.0
  C  C18  1  0.50000000  0.50000000  0.00000000  1.0
  O  O19  1  0.50000000  0.50000000  0.50000000  1.0