# generated using pymatgen
data_CoO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01093903
_cell_length_b   5.18024055
_cell_length_c   3.01093902
_cell_angle_alpha   106.89493845
_cell_angle_beta   119.99999719
_cell_angle_gamma   73.10505448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoO
_chemical_formula_sum   'Co2 O2'
_cell_volume   38.31257810
_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
  Co  Co0  1  -0.00000000  -0.00000000  -0.00000000  1.0
  Co  Co1  1  0.50000000  0.50000000  0.50000000  1.0
  O  O2  1  0.25000000  0.24999900  0.75000000  1.0
  O  O3  1  0.75000000  0.75000100  0.25000000  1.0