# generated using pymatgen
data_CaO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21197730
_cell_length_b   5.21197730
_cell_length_c   7.03998672
_cell_angle_alpha   71.08082303
_cell_angle_beta   71.08082303
_cell_angle_gamma   89.45299119
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaO2
_chemical_formula_sum   'Ca4 O8'
_cell_volume   170.15566624
_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  0.63682000  0.87474600  0.74201800  1.0
  Ca  Ca1  1  0.12525400  0.36318000  0.75798200  1.0
  Ca  Ca2  1  0.87474600  0.63682000  0.24201800  1.0
  Ca  Ca3  1  0.36318000  0.12525400  0.25798200  1.0
  O  O4  1  0.72478700  0.47148300  0.00017000  1.0
  O  O5  1  0.52851700  0.27521300  0.49983000  1.0
  O  O6  1  0.74584900  0.02756100  0.00262600  1.0
  O  O7  1  0.97243900  0.25415100  0.49737400  1.0
  O  O8  1  0.27521300  0.52851700  0.99983000  1.0
  O  O9  1  0.47148300  0.72478700  0.50017000  1.0
  O  O10  1  0.25415100  0.97243900  0.99737400  1.0
  O  O11  1  0.02756100  0.74584900  0.50262600  1.0