# generated using pymatgen
data_Ti3V2Cu(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52993351
_cell_length_b   8.52993351
_cell_length_c   8.52993362
_cell_angle_alpha   61.20196660
_cell_angle_beta   61.20196660
_cell_angle_gamma   61.20195982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3V2Cu(PO4)6
_chemical_formula_sum   'Ti3 V2 Cu1 P6 O24'
_cell_volume   450.72118525
_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  0.64532300  0.64532300  0.64532300  1.0
  Ti  Ti1  1  0.85702200  0.85702200  0.85702200  1.0
  Ti  Ti2  1  0.35443900  0.35443900  0.35443900  1.0
  V  V3  1  0.00264500  0.00264500  0.00264500  1.0
  V  V4  1  0.50155700  0.50155700  0.50155700  1.0
  Cu  Cu5  1  0.14647400  0.14647400  0.14647400  1.0
  P  P6  1  0.54437500  0.95363900  0.24760300  1.0
  P  P7  1  0.24760300  0.54437500  0.95363900  1.0
  P  P8  1  0.95363900  0.24760300  0.54437500  1.0
  P  P9  1  0.04474500  0.74885800  0.45635300  1.0
  P  P10  1  0.74885800  0.45635300  0.04474500  1.0
  P  P11  1  0.45635300  0.04474500  0.74885800  1.0
  O  O12  1  0.31370500  0.49502800  0.11860900  1.0
  O  O13  1  0.11860900  0.31370500  0.49502800  1.0
  O  O14  1  0.49502800  0.11860900  0.31370500  1.0
  O  O15  1  0.74390700  0.94159800  0.09077400  1.0
  O  O16  1  0.39596000  0.98025100  0.18237600  1.0
  O  O17  1  0.57133100  0.75852800  0.41021300  1.0
  O  O18  1  0.09077400  0.74390700  0.94159800  1.0
  O  O19  1  0.41021300  0.57133100  0.75852800  1.0
  O  O20  1  0.99819800  0.81621400  0.61859600  1.0
  O  O21  1  0.75852800  0.41021300  0.57133100  1.0
  O  O22  1  0.05063400  0.90065200  0.26410400  1.0
  O  O23  1  0.81621400  0.61859600  0.99819800  1.0
  O  O24  1  0.18237600  0.39596000  0.98025100  1.0
  O  O25  1  0.94159800  0.09077400  0.74390700  1.0
  O  O26  1  0.24014600  0.58765500  0.44502400  1.0
  O  O27  1  0.98025100  0.18237600  0.39596000  1.0
  O  O28  1  0.58765500  0.44502400  0.24014600  1.0
  O  O29  1  0.90065200  0.26410400  0.05063400  1.0
  O  O30  1  0.44502400  0.24014600  0.58765500  1.0
  O  O31  1  0.61859600  0.99819800  0.81621400  1.0
  O  O32  1  0.26410400  0.05063400  0.90065200  1.0
  O  O33  1  0.51635700  0.88843300  0.66866400  1.0
  O  O34  1  0.88843300  0.66866400  0.51635700  1.0
  O  O35  1  0.66866400  0.51635700  0.88843300  1.0