# generated using pymatgen
data_Ti3CuNi2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.46612690
_cell_length_b   8.46612690
_cell_length_c   8.46612713
_cell_angle_alpha   61.24030521
_cell_angle_beta   61.24030521
_cell_angle_gamma   61.24030424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3CuNi2(PO4)6
_chemical_formula_sum   'Ti3 Cu1 Ni2 P6 O24'
_cell_volume   441.04894759
_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  0.14226300  0.14226300  0.14226300  1.0
  Ti  Ti1  1  0.35500200  0.35500200  0.35500200  1.0
  Ti  Ti2  1  0.64493900  0.64493900  0.64493900  1.0
  Cu  Cu3  1  0.85544400  0.85544400  0.85544400  1.0
  Ni  Ni4  1  0.99716400  0.99716400  0.99716400  1.0
  Ni  Ni5  1  0.49864300  0.49864300  0.49864300  1.0
  P  P6  1  0.54557200  0.25041100  0.95305500  1.0
  P  P7  1  0.95305500  0.54557200  0.25041100  1.0
  P  P8  1  0.25041100  0.95305500  0.54557200  1.0
  P  P9  1  0.75224800  0.04775400  0.45537400  1.0
  P  P10  1  0.04775400  0.45537400  0.75224800  1.0
  P  P11  1  0.45537400  0.75224800  0.04775400  1.0
  O  O12  1  0.33053800  0.11106500  0.48630700  1.0
  O  O13  1  0.48630700  0.33053800  0.11106500  1.0
  O  O14  1  0.90893700  0.05856800  0.25408100  1.0
  O  O15  1  0.11106500  0.48630700  0.33053800  1.0
  O  O16  1  0.81871300  0.01763800  0.60554100  1.0
  O  O17  1  0.58943700  0.24525800  0.43098000  1.0
  O  O18  1  0.05856800  0.25408100  0.90893700  1.0
  O  O19  1  0.24525800  0.43098000  0.58943700  1.0
  O  O20  1  0.38177400  0.18217700  0.00234200  1.0
  O  O21  1  0.43098000  0.58943700  0.24525800  1.0
  O  O22  1  0.73995000  0.09696400  0.94716300  1.0
  O  O23  1  0.00234200  0.38177400  0.18217700  1.0
  O  O24  1  0.01763800  0.60554100  0.81871300  1.0
  O  O25  1  0.25408100  0.90893700  0.05856800  1.0
  O  O26  1  0.55367900  0.41272700  0.75663700  1.0
  O  O27  1  0.60554100  0.81871300  0.01763800  1.0
  O  O28  1  0.75663700  0.55367900  0.41272700  1.0
  O  O29  1  0.94716300  0.73995000  0.09696400  1.0
  O  O30  1  0.41272700  0.75663700  0.55367900  1.0
  O  O31  1  0.18217700  0.00234200  0.38177400  1.0
  O  O32  1  0.88240200  0.50524600  0.68400800  1.0
  O  O33  1  0.09696400  0.94716300  0.73995000  1.0
  O  O34  1  0.50524600  0.68400800  0.88240200  1.0
  O  O35  1  0.68400800  0.88240200  0.50524600  1.0