# generated using pymatgen
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27522190
_cell_length_b   6.27522190
_cell_length_c   21.12264493
_cell_angle_alpha   77.76694768
_cell_angle_beta   77.76694768
_cell_angle_gamma   58.18402477
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CuO2)2
_chemical_formula_sum   'Ca8 Cu16 O32'
_cell_volume   685.70487656
_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
  Ca  Ca0  1  0.63711200  0.63711200  0.02145200  1.0
  Ca  Ca1  1  0.13110100  0.13110100  0.12309300  1.0
  Ca  Ca2  1  0.89341800  0.89341800  0.28343100  1.0
  Ca  Ca3  1  0.36031400  0.36031400  0.37805600  1.0
  Ca  Ca4  1  0.61900800  0.61900800  0.62707300  1.0
  Ca  Ca5  1  0.51167600  0.51167600  0.49594700  1.0
  Ca  Ca6  1  0.88487800  0.88487800  0.87836700  1.0
  Ca  Ca7  1  0.74263000  0.74263000  0.75287700  1.0
  Cu  Cu8  1  0.62705300  0.12438200  0.12879100  1.0
  Cu  Cu9  1  0.25300000  0.25300000  0.24875500  1.0
  Cu  Cu10  1  0.12438200  0.62705300  0.12879100  1.0
  Cu  Cu11  1  0.14872200  0.14872200  0.53549800  1.0
  Cu  Cu12  1  0.87127100  0.36027900  0.36889300  1.0
  Cu  Cu13  1  0.61067600  0.61067600  0.21943500  1.0
  Cu  Cu14  1  0.37727000  0.37727000  0.77769300  1.0
  Cu  Cu15  1  0.36027900  0.87127100  0.36889300  1.0
  Cu  Cu16  1  0.12555400  0.61863800  0.62262400  1.0
  Cu  Cu17  1  0.90933900  0.90933900  0.48172800  1.0
  Cu  Cu18  1  0.61863800  0.12555400  0.62262400  1.0
  Cu  Cu19  1  0.88548700  0.37378800  0.87949400  1.0
  Cu  Cu20  1  0.37378800  0.88548700  0.87949400  1.0
  Cu  Cu21  1  0.10602500  0.10602500  0.68308100  1.0
  Cu  Cu22  1  0.00131500  0.00131500  0.00541300  1.0
  Cu  Cu23  1  0.35845600  0.35845600  0.97656600  1.0
  O  O24  1  0.24620400  0.80735800  0.06851900  1.0
  O  O25  1  0.91684700  0.91684700  0.17397400  1.0
  O  O26  1  0.80735800  0.24620400  0.06851900  1.0
  O  O27  1  0.82625500  0.82625500  0.04664500  1.0
  O  O28  1  0.46565200  0.46565200  0.19151000  1.0
  O  O29  1  0.48520800  0.06252100  0.31024700  1.0
  O  O30  1  0.44478100  0.99326500  0.19083300  1.0
  O  O31  1  0.16844000  0.16844000  0.44596400  1.0
  O  O32  1  0.06252100  0.48520800  0.31024700  1.0
  O  O33  1  0.34347400  0.34347400  0.08078000  1.0
  O  O34  1  0.06561800  0.06561800  0.32750000  1.0
  O  O35  1  0.99326500  0.44478100  0.19083300  1.0
  O  O36  1  0.79483900  0.28450300  0.56931400  1.0
  O  O37  1  0.67579200  0.67579200  0.40448700  1.0
  O  O38  1  0.71288800  0.19996500  0.42860000  1.0
  O  O39  1  0.40911800  0.40911800  0.67563900  1.0
  O  O40  1  0.28450300  0.79483900  0.56931400  1.0
  O  O41  1  0.56220400  0.56220400  0.30899500  1.0
  O  O42  1  0.30338300  0.30338300  0.55864200  1.0
  O  O43  1  0.19996500  0.71288800  0.42860000  1.0
  O  O44  1  0.94273800  0.94273800  0.68468100  1.0
  O  O45  1  0.04509000  0.53540300  0.82280700  1.0
  O  O46  1  0.96794500  0.45132300  0.67796200  1.0
  O  O47  1  0.67298100  0.67298100  0.91488300  1.0
  O  O48  1  0.53540300  0.04509000  0.82280700  1.0
  O  O49  1  0.82881200  0.82881200  0.57002900  1.0
  O  O50  1  0.53167400  0.53167400  0.79302400  1.0
  O  O51  1  0.45132300  0.96794500  0.67796200  1.0
  O  O52  1  0.18804000  0.18804000  0.97266200  1.0
  O  O53  1  0.21507700  0.73023000  0.94389000  1.0
  O  O54  1  0.09092100  0.09092100  0.83816900  1.0
  O  O55  1  0.73023000  0.21507700  0.94389000  1.0