# generated using pymatgen
data_Ca(CuO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.12966778
_cell_length_b   6.12966778
_cell_length_c   6.12966778
_cell_angle_alpha   119.03084060
_cell_angle_beta   117.85910712
_cell_angle_gamma   92.71802705
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(CuO2)2
_chemical_formula_sum   'Ca2 Cu4 O8'
_cell_volume   166.45756388
_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  0.00000000  0.50000000  0.50000000  1.0
  Ca  Ca1  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.14142700  0.89142700  0.25000000  1.0
  Cu  Cu3  1  0.85857300  0.10857300  0.75000000  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.50000000  1.0
  O  O6  1  0.72040800  0.21681400  0.99640600  1.0
  O  O7  1  0.72138800  0.22912700  0.49226200  1.0
  O  O8  1  0.72040800  0.72400200  0.50359400  1.0
  O  O9  1  0.23686500  0.22912700  0.00773800  1.0
  O  O10  1  0.76313500  0.77087300  0.99226200  1.0
  O  O11  1  0.27861200  0.77087300  0.50773800  1.0
  O  O12  1  0.27959200  0.27599800  0.49640600  1.0
  O  O13  1  0.27959200  0.78318600  0.00359400  1.0