# generated using pymatgen
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21667074
_cell_length_b   6.21667074
_cell_length_c   15.25646200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000786
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CuO2)2
_chemical_formula_sum   'Ca6 Cu12 O24'
_cell_volume   510.62275062
_cell_formula_units_Z   6
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  0.33333300  0.66666700  0.05071700  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.38880600  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.33610000  1.0
  Ca  Ca3  1  0.00000000  0.00000000  0.74730300  1.0
  Ca  Ca4  1  0.66666700  0.33333300  0.99152200  1.0
  Ca  Ca5  1  0.66666700  0.33333300  0.62237200  1.0
  Cu  Cu6  1  0.83087500  0.16912500  0.16600500  1.0
  Cu  Cu7  1  0.33825100  0.16912500  0.16600500  1.0
  Cu  Cu8  1  0.16396800  0.83603200  0.50846400  1.0
  Cu  Cu9  1  0.83087500  0.66174900  0.16600500  1.0
  Cu  Cu10  1  0.67206400  0.83603200  0.50846400  1.0
  Cu  Cu11  1  0.33333300  0.66666700  0.66316500  1.0
  Cu  Cu12  1  0.33333300  0.66666700  0.27513400  1.0
  Cu  Cu13  1  0.49574200  0.50425800  0.82960600  1.0
  Cu  Cu14  1  0.16396800  0.32793600  0.50846400  1.0
  Cu  Cu15  1  0.00851700  0.50425800  0.82960600  1.0
  Cu  Cu16  1  0.49574200  0.99148300  0.82960600  1.0
  Cu  Cu17  1  0.00000000  0.00000000  0.95326300  1.0
  O  O18  1  0.52340300  0.47659700  0.10324300  1.0
  O  O19  1  0.66666700  0.33333300  0.24586800  1.0
  O  O20  1  0.95319500  0.47659700  0.10324300  1.0
  O  O21  1  0.52340300  0.04680500  0.10324300  1.0
  O  O22  1  0.85362700  0.14637300  0.44881200  1.0
  O  O23  1  0.15398200  0.30796500  0.22731800  1.0
  O  O24  1  0.00000000  0.00000000  0.59407200  1.0
  O  O25  1  0.69203500  0.84601800  0.22731800  1.0
  O  O26  1  0.00000000  0.00000000  0.07668000  1.0
  O  O27  1  0.29274600  0.14637300  0.44881200  1.0
  O  O28  1  0.85362700  0.70725400  0.44881200  1.0
  O  O29  1  0.15398200  0.84601800  0.22731800  1.0
  O  O30  1  0.19993000  0.80007000  0.74876500  1.0
  O  O31  1  0.46987200  0.93974400  0.57089600  1.0
  O  O32  1  0.06025600  0.53012800  0.57089600  1.0
  O  O33  1  0.33333300  0.66666700  0.89805800  1.0
  O  O34  1  0.33333300  0.66666700  0.39678600  1.0
  O  O35  1  0.60014100  0.80007000  0.74876500  1.0
  O  O36  1  0.19993000  0.39985900  0.74876500  1.0
  O  O37  1  0.46987200  0.53012800  0.57089600  1.0
  O  O38  1  0.83581300  0.67162600  0.89410300  1.0
  O  O39  1  0.32837400  0.16418700  0.89410300  1.0
  O  O40  1  0.66666700  0.33333300  0.77023400  1.0
  O  O41  1  0.83581300  0.16418700  0.89410300  1.0