# generated using pymatgen
data_Fe3CuNi2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48152107
_cell_length_b   8.48152107
_cell_length_c   8.48152090
_cell_angle_alpha   60.96258392
_cell_angle_beta   60.96258392
_cell_angle_gamma   60.96258506
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3CuNi2(PO4)6
_chemical_formula_sum   'Fe3 Cu1 Ni2 P6 O24'
_cell_volume   440.78249693
_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
  Fe  Fe0  1  0.14367900  0.14367900  0.14367900  1.0
  Fe  Fe1  1  0.35520400  0.35520400  0.35520400  1.0
  Fe  Fe2  1  0.64363400  0.64363400  0.64363400  1.0
  Cu  Cu3  1  0.85573400  0.85573400  0.85573400  1.0
  Ni  Ni4  1  0.99958500  0.99958500  0.99958500  1.0
  Ni  Ni5  1  0.49992800  0.49992800  0.49992800  1.0
  P  P6  1  0.75034300  0.04461900  0.45601500  1.0
  P  P7  1  0.04461900  0.45601500  0.75034300  1.0
  P  P8  1  0.45601500  0.75034300  0.04461900  1.0
  P  P9  1  0.54576600  0.24877100  0.95233700  1.0
  P  P10  1  0.95233700  0.54576600  0.24877100  1.0
  P  P11  1  0.24877100  0.95233700  0.54576600  1.0
  O  O12  1  0.31709300  0.10908300  0.50572600  1.0
  O  O13  1  0.50572600  0.31709300  0.10908300  1.0
  O  O14  1  0.90845600  0.05920900  0.25610700  1.0
  O  O15  1  0.10908300  0.50572600  0.31709300  1.0
  O  O16  1  0.81359700  0.01641800  0.61166500  1.0
  O  O17  1  0.59207500  0.24533800  0.43696900  1.0
  O  O18  1  0.05920900  0.25610700  0.90845600  1.0
  O  O19  1  0.24533800  0.43696900  0.59207500  1.0
  O  O20  1  0.38895700  0.18185400  0.99326400  1.0
  O  O21  1  0.43696900  0.59207500  0.24533800  1.0
  O  O22  1  0.74441000  0.08891300  0.94416000  1.0
  O  O23  1  0.99326400  0.38895700  0.18185400  1.0
  O  O24  1  0.01641800  0.61166500  0.81359700  1.0
  O  O25  1  0.25610700  0.90845600  0.05920900  1.0
  O  O26  1  0.56180500  0.40711500  0.75380800  1.0
  O  O27  1  0.61166500  0.81359700  0.01641800  1.0
  O  O28  1  0.75380800  0.56180500  0.40711500  1.0
  O  O29  1  0.94416000  0.74441000  0.08891300  1.0
  O  O30  1  0.40711500  0.75380800  0.56180500  1.0
  O  O31  1  0.18185400  0.99326400  0.38895700  1.0
  O  O32  1  0.88808000  0.49721900  0.68306900  1.0
  O  O33  1  0.08891300  0.94416000  0.74441000  1.0
  O  O34  1  0.49721900  0.68306900  0.88808000  1.0
  O  O35  1  0.68306900  0.88808000  0.49721900  1.0