# generated using pymatgen
data_Zr12SiSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.94666659
_cell_length_b   11.00825904
_cell_length_c   5.48049167
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.03329353
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr12SiSe3
_chemical_formula_sum   'Zr24 Si2 Se6'
_cell_volume   660.41963907
_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  0.91654779  0.60643690  0.54867244  1.0
  Zr  Zr1  1  0.08345221  0.39356310  0.54867244  1.0
  Zr  Zr2  1  0.89654329  0.41334713  0.03528485  1.0
  Zr  Zr3  1  0.10345671  0.58665287  0.03528485  1.0
  Zr  Zr4  1  0.58432828  0.89680451  0.95884663  1.0
  Zr  Zr5  1  0.41567172  0.10319549  0.95884663  1.0
  Zr  Zr6  1  0.60379243  0.08438560  0.45799909  1.0
  Zr  Zr7  1  0.39620757  0.91561440  0.45799909  1.0
  Zr  Zr8  1  0.86264043  0.97429060  0.71823908  1.0
  Zr  Zr9  1  0.13735957  0.02570940  0.71823908  1.0
  Zr  Zr10  1  0.52650988  0.36104856  0.21350555  1.0
  Zr  Zr11  1  0.47349012  0.63895144  0.21350555  1.0
  Zr  Zr12  1  0.63918990  0.52540995  0.78587145  1.0
  Zr  Zr13  1  0.36081010  0.47459005  0.78587145  1.0
  Zr  Zr14  1  0.97273338  0.14188174  0.28284683  1.0
  Zr  Zr15  1  0.02726662  0.85811826  0.28284683  1.0
  Zr  Zr16  1  0.81836205  0.71530081  0.01179511  1.0
  Zr  Zr17  1  0.18163795  0.28469919  0.01179511  1.0
  Zr  Zr18  1  0.78699462  0.31890586  0.51545505  1.0
  Zr  Zr19  1  0.21300538  0.68109414  0.51545505  1.0
  Zr  Zr20  1  0.68234859  0.78522027  0.48692021  1.0
  Zr  Zr21  1  0.31765141  0.21477973  0.48692021  1.0
  Zr  Zr22  1  0.71657928  0.18192725  0.98415566  1.0
  Zr  Zr23  1  0.28342072  0.81807275  0.98415566  1.0
  Si  Si24  1  0.96062742  0.20468577  0.78960673  1.0
  Si  Si25  1  0.03937258  0.79531423  0.78960673  1.0
  Se  Se26  1  0.79434610  0.96070327  0.21151200  1.0
  Se  Se27  1  0.20565390  0.03929673  0.21151200  1.0
  Se  Se28  1  0.53834769  0.29245130  0.70934443  1.0
  Se  Se29  1  0.46165231  0.70754870  0.70934443  1.0
  Se  Se30  1  0.70810672  0.53903620  0.28994487  1.0
  Se  Se31  1  0.29189328  0.46096380  0.28994487  1.0