# generated using pymatgen
data_TiFe3Cu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54587588
_cell_length_b   8.54587588
_cell_length_c   8.54587627
_cell_angle_alpha   60.58865673
_cell_angle_beta   60.58865673
_cell_angle_gamma   60.58865606
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFe3Cu2(PO4)6
_chemical_formula_sum   'Ti1 Fe3 Cu2 P6 O24'
_cell_volume   447.18891206
_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  0.85629000  0.85629000  0.85629000  1.0
  Fe  Fe1  1  0.14445700  0.14445700  0.14445700  1.0
  Fe  Fe2  1  0.35620200  0.35620200  0.35620200  1.0
  Fe  Fe3  1  0.64409500  0.64409500  0.64409500  1.0
  Cu  Cu4  1  0.00076600  0.00076600  0.00076600  1.0
  Cu  Cu5  1  0.50059800  0.50059800  0.50059800  1.0
  P  P6  1  0.04458900  0.45478800  0.74937000  1.0
  P  P7  1  0.45478800  0.74937000  0.04458900  1.0
  P  P8  1  0.74937000  0.04458900  0.45478800  1.0
  P  P9  1  0.95573900  0.54337100  0.25081200  1.0
  P  P10  1  0.25081200  0.95573900  0.54337100  1.0
  P  P11  1  0.54337100  0.25081200  0.95573900  1.0
  O  O12  1  0.50676300  0.31325900  0.11295200  1.0
  O  O13  1  0.11295200  0.50676300  0.31325900  1.0
  O  O14  1  0.25932300  0.91167900  0.06015700  1.0
  O  O15  1  0.31325900  0.11295200  0.50676300  1.0
  O  O16  1  0.61791100  0.81611200  0.99512700  1.0
  O  O17  1  0.44764300  0.58739300  0.24024500  1.0
  O  O18  1  0.91167900  0.06015600  0.25932300  1.0
  O  O19  1  0.58739300  0.24024500  0.44764300  1.0
  O  O20  1  0.99491600  0.38737200  0.18513100  1.0
  O  O21  1  0.24024500  0.44764300  0.58739300  1.0
  O  O22  1  0.93863000  0.74121000  0.08674400  1.0
  O  O23  1  0.18513100  0.99491600  0.38737200  1.0
  O  O24  1  0.81611200  0.99512700  0.61791100  1.0
  O  O25  1  0.06015700  0.25932300  0.91167900  1.0
  O  O26  1  0.75783100  0.55962600  0.41189200  1.0
  O  O27  1  0.99512700  0.61791100  0.81611200  1.0
  O  O28  1  0.41189200  0.75783100  0.55962600  1.0
  O  O29  1  0.08674400  0.93863000  0.74121000  1.0
  O  O30  1  0.55962600  0.41189200  0.75783100  1.0
  O  O31  1  0.38737200  0.18513100  0.99491600  1.0
  O  O32  1  0.68440600  0.88814000  0.49446300  1.0
  O  O33  1  0.74121000  0.08674400  0.93863000  1.0
  O  O34  1  0.88814000  0.49446300  0.68440600  1.0
  O  O35  1  0.49446300  0.68440600  0.88814000  1.0