# generated using pymatgen
data_TiV4CuO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79262727
_cell_length_b   6.79262727
_cell_length_c   5.81758566
_cell_angle_alpha   75.04497860
_cell_angle_beta   75.04497860
_cell_angle_gamma   84.49404930
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV4CuO12
_chemical_formula_sum   'Ti1 V4 Cu1 O12'
_cell_volume   250.42256997
_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
  Ti  Ti0  1  0.09147500  0.90852500  0.00000000  1.0
  V  V1  1  0.79850700  0.61188300  0.50656700  1.0
  V  V2  1  0.60986200  0.79422900  0.01676500  1.0
  V  V3  1  0.38811700  0.20149300  0.49343300  1.0
  V  V4  1  0.20577100  0.39013800  0.98323500  1.0
  Cu  Cu5  1  0.90518300  0.09481700  0.50000000  1.0
  O  O6  1  0.97194600  0.80961100  0.36321100  1.0
  O  O7  1  0.91528300  0.38100500  0.53997000  1.0
  O  O8  1  0.80911700  0.96385700  0.90986900  1.0
  O  O9  1  0.63023100  0.63428700  0.30510300  1.0
  O  O10  1  0.61899500  0.08471700  0.46003000  1.0
  O  O11  1  0.65202500  0.64088000  0.80236500  1.0
  O  O12  1  0.36571300  0.36976900  0.69489700  1.0
  O  O13  1  0.36167800  0.90955600  0.03284800  1.0
  O  O14  1  0.35912000  0.34797500  0.19763500  1.0
  O  O15  1  0.19038900  0.02805400  0.63678900  1.0
  O  O16  1  0.09044400  0.63832200  0.96715200  1.0
  O  O17  1  0.03614300  0.19088300  0.09013100  1.0