# generated using pymatgen
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33071859
_cell_length_b   6.33071859
_cell_length_c   6.33071850
_cell_angle_alpha   58.27243049
_cell_angle_beta   58.27243049
_cell_angle_gamma   58.27242615
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CuO2)2
_chemical_formula_sum   'Ca2 Cu4 O8'
_cell_volume   172.30975627
_cell_formula_units_Z   2
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  0.02074300  0.02074300  0.02074300  1.0
  Ca  Ca1  1  0.62341000  0.62341000  0.62341000  1.0
  Cu  Cu2  1  0.23754400  0.23754400  0.23754400  1.0
  Cu  Cu3  1  0.63086400  0.12080600  0.63086400  1.0
  Cu  Cu4  1  0.63086400  0.63086400  0.12080600  1.0
  Cu  Cu5  1  0.12080600  0.63086400  0.63086400  1.0
  O  O6  1  0.82467900  0.36348800  0.36348800  1.0
  O  O7  1  0.36348800  0.36348800  0.82467900  1.0
  O  O8  1  0.36348800  0.82467900  0.36348800  1.0
  O  O9  1  0.35626100  0.35626100  0.35626100  1.0
  O  O10  1  0.87787500  0.87787500  0.87787500  1.0
  O  O11  1  0.87425500  0.45145900  0.87425500  1.0
  O  O12  1  0.87425500  0.87425500  0.45145900  1.0
  O  O13  1  0.45145900  0.87425500  0.87425500  1.0