# generated using pymatgen
data_CaCu2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65127000
_cell_length_b   4.13628300
_cell_length_c   10.08905500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu2O3
_chemical_formula_sum   'Ca2 Cu4 O6'
_cell_volume   152.37183000
_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  0.38777800  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.61222200  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.12527900  0.00000000  0.66370300  1.0
  Cu  Cu3  1  0.12527900  0.00000000  0.33629700  1.0
  Cu  Cu4  1  0.87472100  0.50000000  0.83629700  1.0
  Cu  Cu5  1  0.87472100  0.50000000  0.16370300  1.0
  O  O6  1  0.63277300  0.50000000  0.00000000  1.0
  O  O7  1  0.36722700  0.00000000  0.50000000  1.0
  O  O8  1  0.91157800  0.00000000  0.16511800  1.0
  O  O9  1  0.08842200  0.50000000  0.66511800  1.0
  O  O10  1  0.08842200  0.50000000  0.33488200  1.0
  O  O11  1  0.91157800  0.00000000  0.83488200  1.0