# generated using pymatgen
data_CaCuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.20286300
_cell_length_b   5.46027100
_cell_length_c   11.13506600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCuO2
_chemical_formula_sum   'Ca4 Cu4 O8'
_cell_volume   194.73560125
_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  0.50462800  0.97555700  0.86270600  1.0
  Ca  Ca1  1  0.49537200  0.47555700  0.63729400  1.0
  Ca  Ca2  1  0.50462800  0.02444300  0.13729400  1.0
  Ca  Ca3  1  0.49537200  0.52444300  0.36270600  1.0
  Cu  Cu4  1  0.00707200  0.48498700  0.87811700  1.0
  Cu  Cu5  1  0.99292800  0.01501300  0.37811700  1.0
  Cu  Cu6  1  0.99292800  0.98498700  0.62188300  1.0
  Cu  Cu7  1  0.00707200  0.51501300  0.12188300  1.0
  O  O8  1  0.99901500  0.77329900  0.24569100  1.0
  O  O9  1  0.01554900  0.75649400  0.99389700  1.0
  O  O10  1  0.00098500  0.27329900  0.25430900  1.0
  O  O11  1  0.99901500  0.22670100  0.75430900  1.0
  O  O12  1  0.00098500  0.72670100  0.74569100  1.0
  O  O13  1  0.98445100  0.74350600  0.49389700  1.0
  O  O14  1  0.01554900  0.24350600  0.00610300  1.0
  O  O15  1  0.98445100  0.25649400  0.50610300  1.0