# generated using pymatgen
data_Ti3FeCu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61701406
_cell_length_b   8.61701406
_cell_length_c   8.61701392
_cell_angle_alpha   60.08534781
_cell_angle_beta   60.08534781
_cell_angle_gamma   60.08534867
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3FeCu2(PO4)6
_chemical_formula_sum   'Ti3 Fe1 Cu2 P6 O24'
_cell_volume   453.30918503
_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  0.14281700  0.14281700  0.14281700  1.0
  Ti  Ti1  1  0.35666800  0.35666800  0.35666800  1.0
  Ti  Ti2  1  0.64354500  0.64354500  0.64354500  1.0
  Fe  Fe3  1  0.85633000  0.85633000  0.85633000  1.0
  Cu  Cu4  1  0.99812500  0.99812500  0.99812500  1.0
  Cu  Cu5  1  0.49968000  0.49968000  0.49968000  1.0
  P  P6  1  0.54312200  0.24916700  0.95820500  1.0
  P  P7  1  0.95820500  0.54312200  0.24916700  1.0
  P  P8  1  0.24916700  0.95820500  0.54312200  1.0
  P  P9  1  0.75121500  0.04202900  0.45849100  1.0
  P  P10  1  0.04202900  0.45849100  0.75121500  1.0
  P  P11  1  0.45849100  0.75121500  0.04203000  1.0
  O  O12  1  0.31220300  0.12082300  0.49499400  1.0
  O  O13  1  0.49499400  0.31220300  0.12082300  1.0
  O  O14  1  0.91532600  0.05734000  0.26428000  1.0
  O  O15  1  0.12082300  0.49499400  0.31220300  1.0
  O  O16  1  0.80765700  0.00725300  0.61671200  1.0
  O  O17  1  0.58446500  0.23400600  0.43748200  1.0
  O  O18  1  0.05734000  0.26428000  0.91532600  1.0
  O  O19  1  0.23400600  0.43748200  0.58446500  1.0
  O  O20  1  0.37801800  0.19132600  0.00174900  1.0
  O  O21  1  0.43748200  0.58446500  0.23400600  1.0
  O  O22  1  0.73415100  0.08667200  0.94583300  1.0
  O  O23  1  0.00174900  0.37801800  0.19132600  1.0
  O  O24  1  0.00725300  0.61671200  0.80765700  1.0
  O  O25  1  0.26428000  0.91532600  0.05734000  1.0
  O  O26  1  0.55559900  0.41650000  0.76665200  1.0
  O  O27  1  0.61671200  0.80765700  0.00725300  1.0
  O  O28  1  0.76665200  0.55559900  0.41650000  1.0
  O  O29  1  0.94583300  0.73415100  0.08667200  1.0
  O  O30  1  0.41650000  0.76665200  0.55559900  1.0
  O  O31  1  0.19132600  0.00174900  0.37801800  1.0
  O  O32  1  0.87703600  0.50180900  0.69271700  1.0
  O  O33  1  0.08667200  0.94583300  0.73415100  1.0
  O  O34  1  0.50180900  0.69271700  0.87703600  1.0
  O  O35  1  0.69271700  0.87703600  0.50180900  1.0