# generated using pymatgen
data_Zr3VI12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72120478
_cell_length_b   7.51183343
_cell_length_c   13.02196754
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.06894912
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3VI12
_chemical_formula_sum   'Zr3 V1 I12'
_cell_volume   657.46005249
_cell_formula_units_Z   1
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  0.75077250  0.75286525  0.50000000  1.0
  Zr  Zr1  1  0.26714688  0.24712733  0.00000000  1.0
  Zr  Zr2  1  0.73334654  0.24746695  0.00000000  1.0
  V  V3  1  0.24974503  0.75207633  0.50000000  1.0
  I  I4  1  0.00315185  0.59786984  0.65351867  1.0
  I  I5  1  0.00445628  0.05983255  0.50000000  1.0
  I  I6  1  0.99988809  0.09212663  0.84371381  1.0
  I  I7  1  0.99988809  0.09212663  0.15628619  1.0
  I  I8  1  0.49504350  0.90628779  0.34687298  1.0
  I  I9  1  0.50050879  0.40904997  0.16123909  1.0
  I  I10  1  0.49586573  0.44564657  0.50000000  1.0
  I  I11  1  0.49504350  0.90628779  0.65312702  1.0
  I  I12  1  0.50050879  0.40904997  0.83876091  1.0
  I  I13  1  0.50047946  0.92424852  0.00000000  1.0
  I  I14  1  0.00100510  0.56006503  0.00000000  1.0
  I  I15  1  0.00315185  0.59786984  0.34648133  1.0