# generated using pymatgen
data_CaCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05945100
_cell_length_b   7.87442328
_cell_length_c   8.52182175
_cell_angle_alpha   84.98458038
_cell_angle_beta   89.17038177
_cell_angle_gamma   89.16745845
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuO2
_chemical_formula_sum   'Ca4 Cu4 O8'
_cell_volume   204.47708710
_cell_formula_units_Z   4
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  0.74226700  0.19483700  0.95580000  1.0
  Ca  Ca1  1  0.25773300  0.80516300  0.04420000  1.0
  Ca  Ca2  1  0.23688900  0.07539200  0.31895700  1.0
  Ca  Ca3  1  0.76311100  0.92460800  0.68104300  1.0
  Cu  Cu4  1  0.28344400  0.55347400  0.79156500  1.0
  Cu  Cu5  1  0.23933900  0.29316800  0.59649900  1.0
  Cu  Cu6  1  0.76066100  0.70683200  0.40350100  1.0
  Cu  Cu7  1  0.71655600  0.44652600  0.20843500  1.0
  O  O8  1  0.20626800  0.59250900  0.28084500  1.0
  O  O9  1  0.26753900  0.81605800  0.50318600  1.0
  O  O10  1  0.73246100  0.18394200  0.49681400  1.0
  O  O11  1  0.79373200  0.40749100  0.71915500  1.0
  O  O12  1  0.77301300  0.67953300  0.87058200  1.0
  O  O13  1  0.25296800  0.03429900  0.84004600  1.0
  O  O14  1  0.22698700  0.32046700  0.12941800  1.0
  O  O15  1  0.74703200  0.96570100  0.15995400  1.0