# generated using pymatgen
data_Zr3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.02498341
_cell_length_b   11.02509169
_cell_length_c   5.44391005
_cell_angle_alpha   90.00032193
_cell_angle_beta   90.00146102
_cell_angle_gamma   89.99935850
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Si
_chemical_formula_sum   'Zr24 Si8'
_cell_volume   661.71517631
_cell_formula_units_Z   8
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  0.91772706  0.60819198  0.53358234  1.0
  Zr  Zr1  1  0.08229863  0.39178431  0.53357714  1.0
  Zr  Zr2  1  0.89179220  0.41768749  0.03360497  1.0
  Zr  Zr3  1  0.10823908  0.58229475  0.03360306  1.0
  Zr  Zr4  1  0.58226712  0.89179518  0.96642843  1.0
  Zr  Zr5  1  0.41769314  0.10821582  0.96641387  1.0
  Zr  Zr6  1  0.60820429  0.08231102  0.46639568  1.0
  Zr  Zr7  1  0.39175451  0.91770456  0.46639691  1.0
  Zr  Zr8  1  0.86184634  0.97245668  0.72207455  1.0
  Zr  Zr9  1  0.13818352  0.02756328  0.72207780  1.0
  Zr  Zr10  1  0.52756860  0.36181923  0.22208115  1.0
  Zr  Zr11  1  0.47240275  0.63816907  0.22206696  1.0
  Zr  Zr12  1  0.63816462  0.52754539  0.77792455  1.0
  Zr  Zr13  1  0.36181435  0.47243747  0.77792289  1.0
  Zr  Zr14  1  0.97243688  0.13818335  0.27791587  1.0
  Zr  Zr15  1  0.02760164  0.86183455  0.27792371  1.0
  Zr  Zr16  1  0.82067301  0.71616061  0.00969221  1.0
  Zr  Zr17  1  0.17934126  0.28382998  0.00968760  1.0
  Zr  Zr18  1  0.78383566  0.32064256  0.50967717  1.0
  Zr  Zr19  1  0.21617250  0.67935666  0.50968243  1.0
  Zr  Zr20  1  0.67933187  0.78384043  0.49030527  1.0
  Zr  Zr21  1  0.32064908  0.21615856  0.49031385  1.0
  Zr  Zr22  1  0.71617746  0.17936855  0.99033156  1.0
  Zr  Zr23  1  0.28382116  0.82064568  0.99032207  1.0
  Si  Si24  1  0.79481517  0.95773228  0.21224147  1.0
  Si  Si25  1  0.20518920  0.04227810  0.21224441  1.0
  Si  Si26  1  0.54226851  0.29481050  0.71225020  1.0
  Si  Si27  1  0.45771618  0.70518885  0.71224307  1.0
  Si  Si28  1  0.70518995  0.54226646  0.28776233  1.0
  Si  Si29  1  0.29480812  0.45772288  0.28776035  1.0
  Si  Si30  1  0.95773346  0.20519662  0.78774650  1.0
  Si  Si31  1  0.04228466  0.79480511  0.78774963  1.0