# generated using pymatgen
data_Zr12GeSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.97086731
_cell_length_b   11.01978513
_cell_length_c   5.48998705
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.96804623
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr12GeSe3
_chemical_formula_sum   'Zr24 Ge2 Se6'
_cell_volume   663.72066692
_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  0.91548943  0.60497217  0.54734962  1.0
  Zr  Zr1  1  0.08451057  0.39502783  0.54734962  1.0
  Zr  Zr2  1  0.89619740  0.41498890  0.03781508  1.0
  Zr  Zr3  1  0.10380260  0.58501110  0.03781508  1.0
  Zr  Zr4  1  0.58429740  0.89682860  0.95784753  1.0
  Zr  Zr5  1  0.41570260  0.10317140  0.95784753  1.0
  Zr  Zr6  1  0.60345317  0.08411499  0.45814735  1.0
  Zr  Zr7  1  0.39654683  0.91588501  0.45814735  1.0
  Zr  Zr8  1  0.85977561  0.97408599  0.71579251  1.0
  Zr  Zr9  1  0.14022439  0.02591401  0.71579251  1.0
  Zr  Zr10  1  0.52625427  0.36090151  0.21255283  1.0
  Zr  Zr11  1  0.47374573  0.63909849  0.21255283  1.0
  Zr  Zr12  1  0.63921160  0.52496154  0.78634002  1.0
  Zr  Zr13  1  0.36078840  0.47503846  0.78634002  1.0
  Zr  Zr14  1  0.97322843  0.14069127  0.28482281  1.0
  Zr  Zr15  1  0.02677157  0.85930873  0.28482281  1.0
  Zr  Zr16  1  0.81669828  0.71500838  0.01350769  1.0
  Zr  Zr17  1  0.18330172  0.28499162  0.01350769  1.0
  Zr  Zr18  1  0.78548437  0.31914061  0.51412185  1.0
  Zr  Zr19  1  0.21451563  0.68085939  0.51412185  1.0
  Zr  Zr20  1  0.68155846  0.78514536  0.48660614  1.0
  Zr  Zr21  1  0.31844154  0.21485464  0.48660614  1.0
  Zr  Zr22  1  0.71473639  0.18206292  0.98506598  1.0
  Zr  Zr23  1  0.28526361  0.81793708  0.98506598  1.0
  Ge  Ge24  1  0.96111523  0.20414532  0.79069626  1.0
  Ge  Ge25  1  0.03888477  0.79585468  0.79069626  1.0
  Se  Se26  1  0.79370960  0.96082433  0.21029165  1.0
  Se  Se27  1  0.20629040  0.03917567  0.21029165  1.0
  Se  Se28  1  0.53824428  0.29268639  0.70855752  1.0
  Se  Se29  1  0.46175572  0.70731361  0.70855752  1.0
  Se  Se30  1  0.70723924  0.53881330  0.29048216  1.0
  Se  Se31  1  0.29276076  0.46118670  0.29048216  1.0