# generated using pymatgen
data_Zr6GeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.04057689
_cell_length_b   11.04057689
_cell_length_c   5.48320789
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6GeSe
_chemical_formula_sum   'Zr24 Ge4 Se4'
_cell_volume   668.37199648
_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  0.91670817  0.60627935  0.53687026  1.0
  Zr  Zr1  1  0.08329183  0.39372065  0.53687026  1.0
  Zr  Zr2  1  0.89372065  0.41670817  0.03687026  1.0
  Zr  Zr3  1  0.10627935  0.58329183  0.03687026  1.0
  Zr  Zr4  1  0.58281560  0.89572474  0.96442404  1.0
  Zr  Zr5  1  0.41718440  0.10427526  0.96442404  1.0
  Zr  Zr6  1  0.60427526  0.08281560  0.46442404  1.0
  Zr  Zr7  1  0.39572474  0.91718440  0.46442404  1.0
  Zr  Zr8  1  0.86033214  0.97336507  0.71668163  1.0
  Zr  Zr9  1  0.13966786  0.02663493  0.71668163  1.0
  Zr  Zr10  1  0.52663493  0.36033214  0.21668163  1.0
  Zr  Zr11  1  0.47336507  0.63966786  0.21668163  1.0
  Zr  Zr12  1  0.63946388  0.52580306  0.78299401  1.0
  Zr  Zr13  1  0.36053612  0.47419694  0.78299401  1.0
  Zr  Zr14  1  0.97419694  0.13946388  0.28299401  1.0
  Zr  Zr15  1  0.02580306  0.86053612  0.28299401  1.0
  Zr  Zr16  1  0.81714521  0.71501498  0.00939308  1.0
  Zr  Zr17  1  0.18285479  0.28498502  0.00939308  1.0
  Zr  Zr18  1  0.78498502  0.31714521  0.50939308  1.0
  Zr  Zr19  1  0.21501498  0.68285479  0.50939308  1.0
  Zr  Zr20  1  0.68146420  0.78471140  0.48911818  1.0
  Zr  Zr21  1  0.31853580  0.21528860  0.48911818  1.0
  Zr  Zr22  1  0.71528860  0.18146420  0.98911818  1.0
  Zr  Zr23  1  0.28471140  0.81853580  0.98911818  1.0
  Ge  Ge24  1  0.70438421  0.54009459  0.28895907  1.0
  Ge  Ge25  1  0.29561579  0.45990541  0.28895907  1.0
  Ge  Ge26  1  0.95990541  0.20438421  0.78895907  1.0
  Ge  Ge27  1  0.04009459  0.79561579  0.78895907  1.0
  Se  Se28  1  0.79301916  0.96022144  0.21155974  1.0
  Se  Se29  1  0.20698084  0.03977856  0.21155974  1.0
  Se  Se30  1  0.53977856  0.29301916  0.71155974  1.0
  Se  Se31  1  0.46022144  0.70698084  0.71155974  1.0