# generated using pymatgen
data_CaCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14602400
_cell_length_b   5.77559394
_cell_length_c   5.77559360
_cell_angle_alpha   71.60428503
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuO2
_chemical_formula_sum   'Ca2 Cu2 O4'
_cell_volume   99.58079298
_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  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu2  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu3  1  0.50000000  0.00000000  0.00000000  1.0
  O  O4  1  0.50000000  0.20067500  0.20067500  1.0
  O  O5  1  0.00000000  0.67921300  0.32078700  1.0
  O  O6  1  0.00000000  0.32078700  0.67921300  1.0
  O  O7  1  0.50000000  0.79932500  0.79932500  1.0