# generated using pymatgen
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06261300
_cell_length_b   9.02833300
_cell_length_c   10.59891500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CuO2)2
_chemical_formula_sum   'Ca4 Cu8 O16'
_cell_volume   293.06307359
_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  0.25000000  0.24157100  0.33974400  1.0
  Ca  Ca1  1  0.75000000  0.75842900  0.66025600  1.0
  Ca  Ca2  1  0.25000000  0.74157100  0.16025600  1.0
  Ca  Ca3  1  0.75000000  0.25842900  0.83974400  1.0
  Cu  Cu4  1  0.75000000  0.41655600  0.10100600  1.0
  Cu  Cu5  1  0.25000000  0.08344400  0.60100600  1.0
  Cu  Cu6  1  0.75000000  0.91655600  0.39899400  1.0
  Cu  Cu7  1  0.25000000  0.58344400  0.89899400  1.0
  Cu  Cu8  1  0.25000000  0.56064600  0.38696100  1.0
  Cu  Cu9  1  0.75000000  0.43935400  0.61303900  1.0
  Cu  Cu10  1  0.25000000  0.06064600  0.11303900  1.0
  Cu  Cu11  1  0.75000000  0.93935400  0.88696100  1.0
  O  O12  1  0.75000000  0.91767100  0.07416700  1.0
  O  O13  1  0.25000000  0.08232900  0.92583300  1.0
  O  O14  1  0.75000000  0.41767100  0.42583300  1.0
  O  O15  1  0.25000000  0.58232900  0.57416700  1.0
  O  O16  1  0.75000000  0.02548700  0.71570500  1.0
  O  O17  1  0.25000000  0.97451300  0.28429500  1.0
  O  O18  1  0.75000000  0.52548700  0.78429500  1.0
  O  O19  1  0.25000000  0.47451300  0.21570500  1.0
  O  O20  1  0.75000000  0.61745700  0.02467900  1.0
  O  O21  1  0.25000000  0.38254300  0.97532100  1.0
  O  O22  1  0.75000000  0.11745700  0.47532100  1.0
  O  O23  1  0.25000000  0.88254300  0.52467900  1.0
  O  O24  1  0.25000000  0.79383400  0.83986100  1.0
  O  O25  1  0.75000000  0.20616600  0.16013900  1.0
  O  O26  1  0.75000000  0.70616600  0.33986100  1.0
  O  O27  1  0.25000000  0.29383400  0.66013900  1.0