# generated using pymatgen
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14361900
_cell_length_b   5.91367500
_cell_length_c   10.97926100
_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   333.96376949
_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  0.85518000  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.14482000  0.50000000  0.00000000  1.0
  Ca  Ca2  1  0.53369300  0.00000000  0.00000000  1.0
  Ca  Ca3  1  0.46630700  0.50000000  0.50000000  1.0
  Cu  Cu4  1  0.50535800  0.50000000  0.23990900  1.0
  Cu  Cu5  1  0.50535800  0.50000000  0.76009100  1.0
  Cu  Cu6  1  0.49464200  0.00000000  0.26009100  1.0
  Cu  Cu7  1  0.49464200  0.00000000  0.73990900  1.0
  Cu  Cu8  1  0.00000000  0.25000000  0.25000000  1.0
  Cu  Cu9  1  0.00000000  0.75000000  0.75000000  1.0
  Cu  Cu10  1  0.00000000  0.75000000  0.25000000  1.0
  Cu  Cu11  1  0.00000000  0.25000000  0.75000000  1.0
  O  O12  1  0.83952500  0.50000000  0.15214200  1.0
  O  O13  1  0.83952500  0.50000000  0.84785800  1.0
  O  O14  1  0.16047500  0.00000000  0.34785800  1.0
  O  O15  1  0.16047500  0.00000000  0.65214200  1.0
  O  O16  1  0.17573800  0.50000000  0.33911900  1.0
  O  O17  1  0.17573800  0.50000000  0.66088100  1.0
  O  O18  1  0.82426200  0.00000000  0.16088100  1.0
  O  O19  1  0.82426200  0.00000000  0.83911900  1.0
  O  O20  1  0.66498800  0.25378700  0.35352900  1.0
  O  O21  1  0.66498800  0.74621300  0.64647100  1.0
  O  O22  1  0.33501200  0.75378700  0.14647100  1.0
  O  O23  1  0.33501200  0.24621300  0.85352900  1.0
  O  O24  1  0.33501200  0.24621300  0.14647100  1.0
  O  O25  1  0.33501200  0.75378700  0.85352900  1.0
  O  O26  1  0.66498800  0.74621300  0.35352900  1.0
  O  O27  1  0.66498800  0.25378700  0.64647100  1.0