# generated using pymatgen
data_TiCr2Ni3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.40034748
_cell_length_b   8.40034748
_cell_length_c   8.40034773
_cell_angle_alpha   61.90362888
_cell_angle_beta   61.90362888
_cell_angle_gamma   61.90363418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiCr2Ni3(PO4)6
_chemical_formula_sum   'Ti1 Cr2 Ni3 P6 O24'
_cell_volume   437.01701131
_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  0.85313700  0.85313700  0.85313700  1.0
  Cr  Cr1  1  0.00083500  0.00083500  0.00083500  1.0
  Cr  Cr2  1  0.50188600  0.50188600  0.50188600  1.0
  Ni  Ni3  1  0.14463100  0.14463100  0.14463100  1.0
  Ni  Ni4  1  0.35871200  0.35871200  0.35871200  1.0
  Ni  Ni5  1  0.64311400  0.64311400  0.64311400  1.0
  P  P6  1  0.94877100  0.54852600  0.25160500  1.0
  P  P7  1  0.25160500  0.94877100  0.54852600  1.0
  P  P8  1  0.54852600  0.25160500  0.94877100  1.0
  P  P9  1  0.44894300  0.74754200  0.05021000  1.0
  P  P10  1  0.74754200  0.05021000  0.44894300  1.0
  P  P11  1  0.05021000  0.44894300  0.74754200  1.0
  O  O12  1  0.51310700  0.32502500  0.10214900  1.0
  O  O13  1  0.10214900  0.51310700  0.32502500  1.0
  O  O14  1  0.24969000  0.90413700  0.06065700  1.0
  O  O15  1  0.32502500  0.10214900  0.51310700  1.0
  O  O16  1  0.61131600  0.82695200  0.98854500  1.0
  O  O17  1  0.44342000  0.60103600  0.25237200  1.0
  O  O18  1  0.90413700  0.06065700  0.24969000  1.0
  O  O19  1  0.60103600  0.25237200  0.44342000  1.0
  O  O20  1  0.99686300  0.39765400  0.17387300  1.0
  O  O21  1  0.25237200  0.44342000  0.60103600  1.0
  O  O22  1  0.93440400  0.75433200  0.09250700  1.0
  O  O23  1  0.17387300  0.99686300  0.39765400  1.0
  O  O24  1  0.82695200  0.98854500  0.61131600  1.0
  O  O25  1  0.06065700  0.24969000  0.90413700  1.0
  O  O26  1  0.74540000  0.56830100  0.40083500  1.0
  O  O27  1  0.98854500  0.61131600  0.82695200  1.0
  O  O28  1  0.40083500  0.74540000  0.56830100  1.0
  O  O29  1  0.09250700  0.93440400  0.75433200  1.0
  O  O30  1  0.56830100  0.40083500  0.74540000  1.0
  O  O31  1  0.39765400  0.17387300  0.99686300  1.0
  O  O32  1  0.66548200  0.90250000  0.49153300  1.0
  O  O33  1  0.75433200  0.09250700  0.93440400  1.0
  O  O34  1  0.90250000  0.49153300  0.66548200  1.0
  O  O35  1  0.49153300  0.66548200  0.90250000  1.0