# generated using pymatgen
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21889744
_cell_length_b   6.21889744
_cell_length_c   15.04288600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999400
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CuO2)2
_chemical_formula_sum   'Ca6 Cu12 O24'
_cell_volume   503.83532193
_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  0.66666700  0.33333300  0.95557600  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.61127600  1.0
  Ca  Ca2  1  0.00000000  0.00000000  0.00113900  1.0
  Ca  Ca3  1  0.33333300  0.66666700  0.27661200  1.0
  Ca  Ca4  1  0.66666700  0.33333300  0.71951100  1.0
  Ca  Ca5  1  0.00000000  0.00000000  0.36924900  1.0
  Cu  Cu6  1  0.66746800  0.83373400  0.82903400  1.0
  Cu  Cu7  1  0.16626600  0.83373400  0.82903400  1.0
  Cu  Cu8  1  0.00174600  0.50087300  0.49975700  1.0
  Cu  Cu9  1  0.16626600  0.33253200  0.82903400  1.0
  Cu  Cu10  1  0.33333300  0.66666700  0.66512700  1.0
  Cu  Cu11  1  0.49912700  0.50087300  0.49975700  1.0
  Cu  Cu12  1  0.34191700  0.17095800  0.16890700  1.0
  Cu  Cu13  1  0.49912700  0.99825400  0.49975700  1.0
  Cu  Cu14  1  0.82904200  0.65808300  0.16890700  1.0
  Cu  Cu15  1  0.66666700  0.33333300  0.33903300  1.0
  Cu  Cu16  1  0.82904200  0.17095800  0.16890700  1.0
  Cu  Cu17  1  0.33333300  0.66666700  0.04864400  1.0
  O  O18  1  0.85014500  0.14985500  0.89054200  1.0
  O  O19  1  0.00000000  0.00000000  0.75373100  1.0
  O  O20  1  0.85014500  0.70029000  0.89054200  1.0
  O  O21  1  0.29971000  0.14985500  0.89054200  1.0
  O  O22  1  0.06303700  0.53151900  0.76130400  1.0
  O  O23  1  0.19585800  0.80414200  0.57527500  1.0
  O  O24  1  0.46848100  0.93696300  0.76130400  1.0
  O  O25  1  0.33333300  0.66666700  0.92389200  1.0
  O  O26  1  0.19585800  0.39171700  0.57527500  1.0
  O  O27  1  0.33333300  0.66666700  0.42908700  1.0
  O  O28  1  0.46848100  0.53151900  0.76130400  1.0
  O  O29  1  0.60828300  0.80414200  0.57527500  1.0
  O  O30  1  0.38076600  0.19038300  0.42622700  1.0
  O  O31  1  0.53081100  0.46918900  0.25121900  1.0
  O  O32  1  0.80961700  0.61923400  0.42622700  1.0
  O  O33  1  0.66666700  0.33333300  0.57055300  1.0
  O  O34  1  0.66666700  0.33333300  0.10500100  1.0
  O  O35  1  0.53081100  0.06162200  0.25121900  1.0
  O  O36  1  0.80961700  0.19038300  0.42622700  1.0
  O  O37  1  0.93837800  0.46918900  0.25121900  1.0
  O  O38  1  0.66578600  0.83289300  0.10097600  1.0
  O  O39  1  0.00000000  0.00000000  0.22180800  1.0
  O  O40  1  0.16710700  0.33421400  0.10097600  1.0
  O  O41  1  0.16710700  0.83289300  0.10097600  1.0