# generated using pymatgen
data_CrFe3Cu2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.58136175
_cell_length_b   8.58136175
_cell_length_c   8.58136188
_cell_angle_alpha   60.34596830
_cell_angle_beta   60.34596830
_cell_angle_gamma   60.34597477
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFe3Cu2(PO4)6
_chemical_formula_sum   'Cr1 Fe3 Cu2 P6 O24'
_cell_volume   450.33894704
_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  0.85872700  0.85872700  0.85872700  1.0
  Fe  Fe1  1  0.14389300  0.14389300  0.14389300  1.0
  Fe  Fe2  1  0.35567600  0.35567600  0.35567600  1.0
  Fe  Fe3  1  0.64427800  0.64427800  0.64427800  1.0
  Cu  Cu4  1  0.00068900  0.00068900  0.00068900  1.0
  Cu  Cu5  1  0.50013200  0.50013200  0.50013200  1.0
  P  P6  1  0.45805600  0.75034900  0.04271500  1.0
  P  P7  1  0.75034900  0.04271500  0.45805600  1.0
  P  P8  1  0.04271500  0.45805600  0.75034900  1.0
  P  P9  1  0.95526600  0.54383900  0.24884300  1.0
  P  P10  1  0.24884300  0.95526600  0.54383900  1.0
  P  P11  1  0.54383900  0.24884300  0.95526600  1.0
  O  O12  1  0.50920500  0.30922500  0.11309800  1.0
  O  O13  1  0.11309800  0.50920500  0.30922500  1.0
  O  O14  1  0.26260200  0.91374600  0.05614100  1.0
  O  O15  1  0.30922500  0.11309800  0.50920500  1.0
  O  O16  1  0.61920000  0.81227800  0.00186100  1.0
  O  O17  1  0.44715200  0.58645900  0.23989300  1.0
  O  O18  1  0.91374600  0.05614100  0.26260200  1.0
  O  O19  1  0.58645900  0.23989300  0.44715200  1.0
  O  O20  1  0.99262700  0.38655700  0.18654000  1.0
  O  O21  1  0.23989300  0.44715200  0.58645900  1.0
  O  O22  1  0.93981300  0.74100500  0.08344500  1.0
  O  O23  1  0.18654000  0.99262700  0.38655700  1.0
  O  O24  1  0.81227800  0.00186100  0.61920000  1.0
  O  O25  1  0.05614100  0.26260200  0.91374600  1.0
  O  O26  1  0.75662200  0.56098300  0.41122200  1.0
  O  O27  1  0.00186100  0.61920000  0.81227800  1.0
  O  O28  1  0.41122200  0.75662200  0.56098300  1.0
  O  O29  1  0.08344500  0.93981300  0.74100500  1.0
  O  O30  1  0.56098300  0.41122200  0.75662200  1.0
  O  O31  1  0.38655700  0.18654000  0.99262700  1.0
  O  O32  1  0.68644300  0.88637500  0.49504500  1.0
  O  O33  1  0.74100500  0.08344500  0.93981300  1.0
  O  O34  1  0.88637500  0.49504500  0.68644300  1.0
  O  O35  1  0.49504500  0.68644300  0.88637500  1.0