# generated using pymatgen
data_Zr6PSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64885851
_cell_length_b   12.57344635
_cell_length_c   15.63533164
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6PSe2
_chemical_formula_sum   'Zr24 P4 Se8'
_cell_volume   717.32910772
_cell_formula_units_Z   4
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  0.00000000  0.34059970  0.48338459  1.0
  Zr  Zr1  1  0.00000000  0.65940030  0.51661541  1.0
  Zr  Zr2  1  0.50000000  0.15940030  0.98338459  1.0
  Zr  Zr3  1  0.50000000  0.84059970  0.01661541  1.0
  Zr  Zr4  1  0.00000000  0.09004289  0.57931163  1.0
  Zr  Zr5  1  0.00000000  0.90995711  0.42068837  1.0
  Zr  Zr6  1  0.50000000  0.40995711  0.07931163  1.0
  Zr  Zr7  1  0.50000000  0.59004289  0.92068837  1.0
  Zr  Zr8  1  0.00000000  0.69606581  0.29678917  1.0
  Zr  Zr9  1  0.00000000  0.30393419  0.70321083  1.0
  Zr  Zr10  1  0.50000000  0.80393419  0.79678917  1.0
  Zr  Zr11  1  0.50000000  0.19606581  0.20321083  1.0
  Zr  Zr12  1  0.00000000  0.03273978  0.10839960  1.0
  Zr  Zr13  1  0.00000000  0.96726022  0.89160040  1.0
  Zr  Zr14  1  0.50000000  0.46726022  0.60839960  1.0
  Zr  Zr15  1  0.50000000  0.53273978  0.39160140  1.0
  Zr  Zr16  1  0.00000000  0.61932935  0.07524173  1.0
  Zr  Zr17  1  0.00000000  0.38067065  0.92475827  1.0
  Zr  Zr18  1  0.50000000  0.88067065  0.57524173  1.0
  Zr  Zr19  1  0.50000000  0.11932935  0.42475827  1.0
  Zr  Zr20  1  0.00000000  0.41124317  0.24364612  1.0
  Zr  Zr21  1  0.00000000  0.58875683  0.75635388  1.0
  Zr  Zr22  1  0.50000000  0.08875683  0.74364612  1.0
  Zr  Zr23  1  0.50000000  0.91124317  0.25635388  1.0
  P  P24  1  0.00000000  0.25451649  0.08701245  1.0
  P  P25  1  0.00000000  0.74548351  0.91298755  1.0
  P  P26  1  0.50000000  0.24548351  0.58701245  1.0
  P  P27  1  0.50000000  0.75451649  0.41298755  1.0
  Se  Se28  1  0.00000000  0.81476269  0.14951369  1.0
  Se  Se29  1  0.00000000  0.18523731  0.85048631  1.0
  Se  Se30  1  0.50000000  0.68523731  0.64951369  1.0
  Se  Se31  1  0.50000000  0.31476269  0.35048631  1.0
  Se  Se32  1  0.00000000  0.07100480  0.29344764  1.0
  Se  Se33  1  0.00000000  0.92899520  0.70655236  1.0
  Se  Se34  1  0.50000000  0.42899520  0.79344764  1.0
  Se  Se35  1  0.50000000  0.57100480  0.20655236  1.0