# generated using pymatgen
data_Ca(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41667511
_cell_length_b   6.97656009
_cell_length_c   8.64504461
_cell_angle_alpha   55.01071234
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(ClO3)2
_chemical_formula_sum   'Ca4 Cl8 O24'
_cell_volume   514.70579795
_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
  Ca  Ca0  1  0.89565366  0.24708285  0.98735913  1.0
  Ca  Ca1  1  0.39565366  0.75291715  0.51264087  1.0
  Ca  Ca2  1  0.60434634  0.24708285  0.48735913  1.0
  Ca  Ca3  1  0.10434634  0.75291715  0.01264087  1.0
  Cl  Cl4  1  0.20267734  0.32853893  0.91452814  1.0
  Cl  Cl5  1  0.70267734  0.67146107  0.58547186  1.0
  Cl  Cl6  1  0.06543366  0.79454046  0.41447633  1.0
  Cl  Cl7  1  0.56543366  0.20545954  0.08552367  1.0
  Cl  Cl8  1  0.43456634  0.79454046  0.91447633  1.0
  Cl  Cl9  1  0.93456634  0.20545954  0.58552367  1.0
  Cl  Cl10  1  0.29732266  0.32853893  0.41452814  1.0
  Cl  Cl11  1  0.79732266  0.67146107  0.08547186  1.0
  O  O12  1  0.11749935  0.12796067  0.96599713  1.0
  O  O13  1  0.91985443  0.33355182  0.67571712  1.0
  O  O14  1  0.60784076  0.49958904  0.59799367  1.0
  O  O15  1  0.25034577  0.42899581  0.72225926  1.0
  O  O16  1  0.75034577  0.57100419  0.77774074  1.0
  O  O17  1  0.69070025  0.08632793  0.11306390  1.0
  O  O18  1  0.46886666  0.01675190  0.19278765  1.0
  O  O19  1  0.10784076  0.50041096  0.90200633  1.0
  O  O20  1  0.96886666  0.98324810  0.30721235  1.0
  O  O21  1  0.19070025  0.91367207  0.38693610  1.0
  O  O22  1  0.41985443  0.66644818  0.82428288  1.0
  O  O23  1  0.61749935  0.87203933  0.53400287  1.0
  O  O24  1  0.38250065  0.12796067  0.46599713  1.0
  O  O25  1  0.58014557  0.33355182  0.17571712  1.0
  O  O26  1  0.80929975  0.08632793  0.61306390  1.0
  O  O27  1  0.03113334  0.01675190  0.69278765  1.0
  O  O28  1  0.89215924  0.49958904  0.09799367  1.0
  O  O29  1  0.53113334  0.98324810  0.80721235  1.0
  O  O30  1  0.30929975  0.91367207  0.88693610  1.0
  O  O31  1  0.24965423  0.42899581  0.22225926  1.0
  O  O32  1  0.74965423  0.57100419  0.27774074  1.0
  O  O33  1  0.39215924  0.50041096  0.40200633  1.0
  O  O34  1  0.08014557  0.66644818  0.32428288  1.0
  O  O35  1  0.88250065  0.87203933  0.03400287  1.0