# CIF generated by HEAS from Alexandria entry agm005246597
data_agm005246597
_cell_length_a     7.33375
_cell_length_b     7.38173
_cell_length_c     24.34527
_cell_angle_alpha  89.77136
_cell_angle_beta   81.53678
_cell_angle_gamma  120.05884
_cell_volume       1123.62204
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  Zr1 Zr 0.23954 0.09495 0.62685 1.00000
  Zr2 Zr 0.24741 0.63534 0.62199 1.00000
  Zr3 Zr 0.00000 0.00000 0.50000 1.00000
  Zr4 Zr 0.00425 0.23377 0.25617 1.00000
  Zr5 Zr 0.50000 0.50000 0.50000 1.00000
  Zr6 Zr 0.00000 0.50000 0.50000 1.00000
  Zr7 Zr 0.76046 0.90505 0.37315 1.00000
  Zr8 Zr 0.79100 0.64768 0.62475 1.00000
  Zr9 Zr 0.00465 0.77488 0.24832 1.00000
  Zr10 Zr 0.47058 0.24197 0.24769 1.00000
  Zr11 Zr 0.75259 0.36466 0.37801 1.00000
  Zr12 Zr 0.73727 0.34094 0.87708 1.00000
  Zr13 Zr 0.26273 0.65906 0.12292 1.00000
  Zr14 Zr 0.20899 0.35232 0.37525 1.00000
  Zr15 Zr 0.50000 0.00000 0.00000 1.00000
  Zr16 Zr 0.00000 0.00000 0.00000 1.00000
  Zr17 Zr 0.74318 0.88937 0.87090 1.00000
  Zr18 Zr 0.25682 0.11063 0.12910 1.00000
  Zr19 Zr 0.71680 0.11097 0.12290 1.00000
  Zr20 Zr 0.50000 0.50000 0.00000 1.00000
  Zr21 Zr 0.99575 0.76623 0.74383 1.00000
  Zr22 Zr 0.52942 0.75803 0.75231 1.00000
  Zr23 Zr 0.28320 0.88903 0.87710 1.00000
  Zr24 Zr 0.99535 0.22512 0.75168 1.00000
  S1 S 0.62892 0.81258 0.56325 1.00000
  S2 S 0.84196 0.17150 0.44578 1.00000
  S3 S 0.11874 0.30663 0.56530 1.00000
  S4 S 0.37116 0.68008 0.43489 1.00000
  S5 S 0.11818 0.56424 0.31157 1.00000
  S6 S 0.62884 0.31992 0.56511 1.00000
  S7 S 0.15804 0.82850 0.55422 1.00000
  S8 S 0.61701 0.06662 0.31126 1.00000
  S9 S 0.88126 0.69337 0.43470 1.00000
  S10 S 0.37879 0.92286 0.19436 1.00000
  S11 S 0.87375 0.43327 0.18878 1.00000
  S12 S 0.13132 0.04346 0.31854 1.00000
  S13 S 0.62866 0.32147 0.06148 1.00000
  S14 S 0.37108 0.18742 0.43675 1.00000
  S15 S 0.36732 0.44061 0.18569 1.00000
  S16 S 0.61879 0.55944 0.31435 1.00000
  S17 S 0.87932 0.68726 0.93448 1.00000
  S18 S 0.11473 0.80834 0.06138 1.00000
  S19 S 0.36893 0.19599 0.93654 1.00000
  S20 S 0.63107 0.80401 0.06346 1.00000
  S21 S 0.13176 0.05890 0.81390 1.00000
  S22 S 0.86824 0.94110 0.18610 1.00000
  S23 S 0.88527 0.19166 0.93862 1.00000
  S24 S 0.12068 0.31274 0.06552 1.00000
  S25 S 0.63268 0.55939 0.81431 1.00000
  S26 S 0.38121 0.44056 0.68565 1.00000
  S27 S 0.86868 0.95654 0.68146 1.00000
  S28 S 0.12625 0.56673 0.81122 1.00000
  S29 S 0.37134 0.67853 0.93852 1.00000
  S30 S 0.38299 0.93338 0.68874 1.00000
  S31 S 0.62121 0.07714 0.80564 1.00000
  S32 S 0.88182 0.43576 0.68843 1.00000