# generated using pymatgen
data_CrFe3Ni2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46520865
_cell_length_b   8.46520791
_cell_length_c   8.46520731
_cell_angle_alpha   61.16523044
_cell_angle_beta   61.16523432
_cell_angle_gamma   61.16523805
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe3Ni2(PO4)6
_chemical_formula_sum   'Cr1 Fe3 Ni2 P6 O24'
_cell_volume   440.18699433
_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
  Cr  Cr0  1  0.85796200  0.85796200  0.85796200  1.0
  Fe  Fe1  1  0.14400600  0.14400600  0.14400600  1.0
  Fe  Fe2  1  0.35557900  0.35557900  0.35557900  1.0
  Fe  Fe3  1  0.64400600  0.64400600  0.64400600  1.0
  Ni  Ni4  1  0.00109600  0.00109600  0.00109600  1.0
  Ni  Ni5  1  0.50033000  0.50033000  0.50033000  1.0
  P  P6  1  0.04517100  0.74969800  0.45464400  1.0
  P  P7  1  0.45464400  0.04517100  0.74969800  1.0
  P  P8  1  0.74969800  0.45464400  0.04517100  1.0
  P  P9  1  0.24913500  0.54648000  0.95229100  1.0
  P  P10  1  0.54648000  0.95229100  0.24913500  1.0
  P  P11  1  0.95229100  0.24913500  0.54648000  1.0
  O  O12  1  0.10960700  0.31431400  0.50968900  1.0
  O  O13  1  0.31431400  0.50968900  0.10960700  1.0
  O  O14  1  0.06026000  0.90835400  0.25652600  1.0
  O  O15  1  0.50968900  0.10960700  0.31431400  1.0
  O  O16  1  0.99946200  0.82136800  0.61552800  1.0
  O  O17  1  0.24330500  0.59200100  0.44699700  1.0
  O  O18  1  0.25652600  0.06026000  0.90835400  1.0
  O  O19  1  0.44699700  0.24330500  0.59200100  1.0
  O  O20  1  0.17652900  0.39215700  0.99483000  1.0
  O  O21  1  0.59200100  0.44699700  0.24330500  1.0
  O  O22  1  0.08658700  0.74737400  0.93629700  1.0
  O  O23  1  0.39215700  0.99483000  0.17652900  1.0
  O  O24  1  0.61552800  0.99946200  0.82136800  1.0
  O  O25  1  0.90835400  0.25652600  0.06026000  1.0
  O  O26  1  0.40510100  0.56403700  0.75258100  1.0
  O  O27  1  0.82136800  0.61552800  0.99946200  1.0
  O  O28  1  0.56403700  0.75258100  0.40510100  1.0
  O  O29  1  0.74737400  0.93629700  0.08658700  1.0
  O  O30  1  0.75258100  0.40510100  0.56403700  1.0
  O  O31  1  0.99483000  0.17652900  0.39215700  1.0
  O  O32  1  0.49723300  0.89003000  0.67943700  1.0
  O  O33  1  0.93629700  0.08658700  0.74737400  1.0
  O  O34  1  0.67943700  0.49723300  0.89003000  1.0
  O  O35  1  0.89003000  0.67943700  0.49723300  1.0