# generated using pymatgen
data_Ti3CrCu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61383634
_cell_length_b   8.61383660
_cell_length_c   8.61383632
_cell_angle_alpha   60.02523090
_cell_angle_beta   60.02523489
_cell_angle_gamma   60.02523551
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3CrCu2(PO4)6
_chemical_formula_sum   'Ti3 Cr1 Cu2 P6 O24'
_cell_volume   452.19235643
_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  0.14244500  0.14244500  0.14244500  1.0
  Ti  Ti1  1  0.35690300  0.35690300  0.35690300  1.0
  Ti  Ti2  1  0.64352300  0.64352300  0.64352300  1.0
  Cr  Cr3  1  0.85826100  0.85826100  0.85826100  1.0
  Cu  Cu4  1  0.99895700  0.99895700  0.99895700  1.0
  Cu  Cu5  1  0.49973700  0.49973700  0.49973700  1.0
  P  P6  1  0.24858400  0.54267500  0.95811800  1.0
  P  P7  1  0.54267500  0.95811800  0.24858400  1.0
  P  P8  1  0.95811800  0.24858400  0.54267500  1.0
  P  P9  1  0.04085600  0.75079600  0.46073700  1.0
  P  P10  1  0.46073700  0.04085600  0.75079600  1.0
  P  P11  1  0.75079600  0.46073700  0.04085600  1.0
  O  O12  1  0.12250300  0.30661300  0.49871400  1.0
  O  O13  1  0.30661300  0.49871400  0.12250300  1.0
  O  O14  1  0.05729600  0.91561000  0.26635400  1.0
  O  O15  1  0.49871400  0.12250300  0.30661300  1.0
  O  O16  1  0.00834800  0.80316200  0.62062200  1.0
  O  O17  1  0.23292300  0.58362500  0.43855100  1.0
  O  O18  1  0.26635400  0.05729600  0.91561000  1.0
  O  O19  1  0.43855100  0.23292300  0.58362500  1.0
  O  O20  1  0.19435400  0.37626400  0.99984400  1.0
  O  O21  1  0.58362500  0.43855100  0.23292300  1.0
  O  O22  1  0.08459500  0.73391300  0.94456700  1.0
  O  O23  1  0.37626400  0.99984400  0.19435400  1.0
  O  O24  1  0.62062200  0.00834800  0.80316200  1.0
  O  O25  1  0.91561000  0.26635400  0.05729600  1.0
  O  O26  1  0.41653400  0.55610100  0.76716700  1.0
  O  O27  1  0.80316200  0.62062200  0.00834800  1.0
  O  O28  1  0.55610100  0.76716700  0.41653400  1.0
  O  O29  1  0.73391300  0.94456700  0.08459500  1.0
  O  O30  1  0.76716700  0.41653400  0.55610100  1.0
  O  O31  1  0.99984400  0.19435400  0.37626400  1.0
  O  O32  1  0.49995200  0.87585100  0.69495000  1.0
  O  O33  1  0.94456700  0.08459500  0.73391300  1.0
  O  O34  1  0.69495000  0.49995200  0.87585100  1.0
  O  O35  1  0.87585100  0.69495000  0.49995200  1.0