# generated using pymatgen
data_TiV5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.60476335
_cell_length_b   8.60476335
_cell_length_c   8.60476284
_cell_angle_alpha   60.24080932
_cell_angle_beta   60.24080932
_cell_angle_gamma   60.24080763
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiV5(PO4)6
_chemical_formula_sum   'Ti1 V5 P6 O24'
_cell_volume   452.96312326
_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  0.85485500  0.85485500  0.85485500  1.0
  V  V1  1  0.99974400  0.99974400  0.99974400  1.0
  V  V2  1  0.35663600  0.35663600  0.35663600  1.0
  V  V3  1  0.50054300  0.50054300  0.50054300  1.0
  V  V4  1  0.14446700  0.14446700  0.14446700  1.0
  V  V5  1  0.64307800  0.64307800  0.64307800  1.0
  P  P6  1  0.45535200  0.74991600  0.04325700  1.0
  P  P7  1  0.74991600  0.04325700  0.45535200  1.0
  P  P8  1  0.04325700  0.45535200  0.74991600  1.0
  P  P9  1  0.95707900  0.54326700  0.24997900  1.0
  P  P10  1  0.24997900  0.95707900  0.54326700  1.0
  P  P11  1  0.54326700  0.24997900  0.95707900  1.0
  O  O12  1  0.68766700  0.88652700  0.49453400  1.0
  O  O13  1  0.88652700  0.49453400  0.68766700  1.0
  O  O14  1  0.49453400  0.68766700  0.88652700  1.0
  O  O15  1  0.26157100  0.91358500  0.06010500  1.0
  O  O16  1  0.61850100  0.81437100  0.99577800  1.0
  O  O17  1  0.44400300  0.58930200  0.23884700  1.0
  O  O18  1  0.91358500  0.06010500  0.26157100  1.0
  O  O19  1  0.58930200  0.23884700  0.44400300  1.0
  O  O20  1  0.99582800  0.38572700  0.18746200  1.0
  O  O21  1  0.23884700  0.44400300  0.58930200  1.0
  O  O22  1  0.93909300  0.73953700  0.08571400  1.0
  O  O23  1  0.18746200  0.99582800  0.38572700  1.0
  O  O24  1  0.81437100  0.99577800  0.61850100  1.0
  O  O25  1  0.06010500  0.26157100  0.91358500  1.0
  O  O26  1  0.75932300  0.56184100  0.41053700  1.0
  O  O27  1  0.99577800  0.61850100  0.81437100  1.0
  O  O28  1  0.41053700  0.75932300  0.56184100  1.0
  O  O29  1  0.08571400  0.93909300  0.73953700  1.0
  O  O30  1  0.56184100  0.41053700  0.75932300  1.0
  O  O31  1  0.38572700  0.18746200  0.99582800  1.0
  O  O32  1  0.73953700  0.08571400  0.93909300  1.0
  O  O33  1  0.50674400  0.31135400  0.11389600  1.0
  O  O34  1  0.11389600  0.50674400  0.31135400  1.0
  O  O35  1  0.31135400  0.11389600  0.50674400  1.0