# generated using pymatgen
data_CaTi4(CuO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46060840
_cell_length_b   6.46060840
_cell_length_c   6.46060840
_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   207.58614451
_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  0.50000000  0.50000000  0.50000000  1.0
  Ti  Ti2  1  0.00000000  0.50000000  0.00000000  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  0.00000000  0.50000000  1.0
  Cu  Cu6  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu7  1  0.00000000  0.50000000  0.50000000  1.0
  O  O8  1  0.87448500  0.17718300  0.69730200  1.0
  O  O9  1  0.17718300  0.30269800  0.47988100  1.0
  O  O10  1  0.12551500  0.82281700  0.30269800  1.0
  O  O11  1  0.82281700  0.30269800  0.12551500  1.0
  O  O12  1  0.47988100  0.17718300  0.30269800  1.0
  O  O13  1  0.30269800  0.12551500  0.82281700  1.0
  O  O14  1  0.69730200  0.52011900  0.82281700  1.0
  O  O15  1  0.17718300  0.69730200  0.87448500  1.0
  O  O16  1  0.52011900  0.82281700  0.69730200  1.0
  O  O17  1  0.30269800  0.47988100  0.17718300  1.0
  O  O18  1  0.69730200  0.87448500  0.17718300  1.0
  O  O19  1  0.82281700  0.69730200  0.52011900  1.0