# generated using pymatgen
data_Ti3NbCr2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80445638
_cell_length_b   8.80445638
_cell_length_c   8.80445614
_cell_angle_alpha   59.36711092
_cell_angle_beta   59.36711092
_cell_angle_gamma   59.36711031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3NbCr2(PO4)6
_chemical_formula_sum   'Ti3 Nb1 Cr2 P6 O24'
_cell_volume   475.65389135
_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  0.14482400  0.14482400  0.14482400  1.0
  Ti  Ti1  1  0.35550900  0.35550900  0.35550900  1.0
  Ti  Ti2  1  0.64491000  0.64491000  0.64491000  1.0
  Nb  Nb3  1  0.85603800  0.85603800  0.85603800  1.0
  Cr  Cr4  1  0.00260200  0.00260200  0.00260200  1.0
  Cr  Cr5  1  0.50000100  0.50000100  0.50000100  1.0
  P  P6  1  0.04342500  0.45382700  0.74844900  1.0
  P  P7  1  0.45382700  0.74844900  0.04342500  1.0
  P  P8  1  0.25488200  0.95923300  0.53694100  1.0
  P  P9  1  0.53694100  0.25488200  0.95923300  1.0
  P  P10  1  0.95923300  0.53694100  0.25488200  1.0
  P  P11  1  0.74844900  0.04342500  0.45382700  1.0
  O  O12  1  0.12195000  0.49881000  0.30538900  1.0
  O  O13  1  0.30538900  0.12195000  0.49881000  1.0
  O  O14  1  0.06028000  0.26790800  0.91625400  1.0
  O  O15  1  0.49881000  0.30538900  0.12195000  1.0
  O  O16  1  0.00758700  0.61513900  0.80240200  1.0
  O  O17  1  0.23110600  0.43833000  0.58240300  1.0
  O  O18  1  0.26790800  0.91625400  0.06028000  1.0
  O  O19  1  0.43833000  0.58240300  0.23110600  1.0
  O  O20  1  0.19785600  0.99888600  0.37765200  1.0
  O  O21  1  0.58240300  0.23110600  0.43833000  1.0
  O  O22  1  0.08777000  0.94214400  0.72737500  1.0
  O  O23  1  0.37765200  0.19785600  0.99888600  1.0
  O  O24  1  0.61513900  0.80240200  0.00758700  1.0
  O  O25  1  0.91625400  0.06028000  0.26790800  1.0
  O  O26  1  0.41824700  0.77030000  0.55735500  1.0
  O  O27  1  0.80240200  0.00758700  0.61513900  1.0
  O  O28  1  0.55735500  0.41824700  0.77030000  1.0
  O  O29  1  0.72737500  0.08777000  0.94214400  1.0
  O  O30  1  0.77030000  0.55735500  0.41824700  1.0
  O  O31  1  0.99888600  0.37765200  0.19785600  1.0
  O  O32  1  0.49812200  0.69714200  0.87895100  1.0
  O  O33  1  0.94214400  0.72737500  0.08777000  1.0
  O  O34  1  0.69714200  0.87895100  0.49812200  1.0
  O  O35  1  0.87895100  0.49812200  0.69714200  1.0