# generated using pymatgen
data_CaCo4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35780680
_cell_length_b   6.33358038
_cell_length_c   6.36296385
_cell_angle_alpha   70.47759718
_cell_angle_beta   109.41342142
_cell_angle_gamma   70.64136843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo4(CuO4)3
_chemical_formula_sum   'Ca1 Co4 Cu3 O12'
_cell_volume   197.52895468
_cell_formula_units_Z   1
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  0.99999600  0.00000400  0.99999400  1.0
  Co  Co1  1  0.49999800  0.50000200  0.49999700  1.0
  Co  Co2  1  0.50000000  0.00000000  0.00000100  1.0
  Co  Co3  1  0.99999800  0.50000000  0.00000200  1.0
  Co  Co4  1  0.99999900  0.99999900  0.49999800  1.0
  Cu  Cu5  1  0.50000800  0.99999600  0.49999700  1.0
  Cu  Cu6  1  0.00000900  0.49999500  0.50001100  1.0
  Cu  Cu7  1  0.50000200  0.49999900  0.00000500  1.0
  O  O8  1  0.17040100  0.13818100  0.69334700  1.0
  O  O9  1  0.82960000  0.86181300  0.30665700  1.0
  O  O10  1  0.17362300  0.51653400  0.31447600  1.0
  O  O11  1  0.30942200  0.17426500  0.14048500  1.0
  O  O12  1  0.85992700  0.30972100  0.16797300  1.0
  O  O13  1  0.51516500  0.30575000  0.83457700  1.0
  O  O14  1  0.68542200  0.17591400  0.51939900  1.0
  O  O15  1  0.14007300  0.69027800  0.83202800  1.0
  O  O16  1  0.82637300  0.48346600  0.68552400  1.0
  O  O17  1  0.69057300  0.82574000  0.85950700  1.0
  O  O18  1  0.48483300  0.69425300  0.16542600  1.0
  O  O19  1  0.31457800  0.82408900  0.48059700  1.0