# generated using pymatgen
data_CaTi4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69414254
_cell_length_b   6.69414254
_cell_length_c   6.69414254
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTi4(CuO4)3
_chemical_formula_sum   'Ca1 Ti4 Cu3 O12'
_cell_volume   230.92075942
_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  0.00000000  0.00000000  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.50000000  0.00000000  1.0
  Ti  Ti2  1  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti3  1  0.00000000  0.00000000  0.50000000  1.0
  Ti  Ti4  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu6  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu7  1  0.50000000  0.00000000  0.50000000  1.0
  O  O8  1  0.24679300  0.75320700  0.00000000  1.0
  O  O9  1  0.24679300  0.00000000  0.75320700  1.0
  O  O10  1  0.00000000  0.24679300  0.75320700  1.0
  O  O11  1  0.50641400  0.75320700  0.75320700  1.0
  O  O12  1  0.24679300  0.49358600  0.24679300  1.0
  O  O13  1  0.75320700  0.00000000  0.24679300  1.0
  O  O14  1  0.75320700  0.50641400  0.75320700  1.0
  O  O15  1  0.00000000  0.75320700  0.24679300  1.0
  O  O16  1  0.24679300  0.24679300  0.49358600  1.0
  O  O17  1  0.49358600  0.24679300  0.24679300  1.0
  O  O18  1  0.75320700  0.75320700  0.50641400  1.0
  O  O19  1  0.75320700  0.24679300  0.00000000  1.0