# generated using pymatgen
data_CaTiNi(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84750821
_cell_length_b   8.84750770
_cell_length_c   8.84750802
_cell_angle_alpha   58.60570827
_cell_angle_beta   58.60571228
_cell_angle_gamma   58.60571637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTiNi(PO4)3
_chemical_formula_sum   'Ca2 Ti2 Ni2 P6 O24'
_cell_volume   474.10948035
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.99679500  0.99679500  0.99679500  1.0
  Ca  Ca1  1  0.49679500  0.49679500  0.49679500  1.0
  Ti  Ti2  1  0.14739500  0.14739500  0.14739500  1.0
  Ti  Ti3  1  0.64739500  0.64739500  0.64739500  1.0
  Ni  Ni4  1  0.35346600  0.35346600  0.35346600  1.0
  Ni  Ni5  1  0.85346600  0.85346600  0.85346600  1.0
  P  P6  1  0.03997700  0.46123700  0.75102500  1.0
  P  P7  1  0.46123700  0.75102500  0.03997700  1.0
  P  P8  1  0.75102500  0.03997700  0.46123700  1.0
  P  P9  1  0.25102500  0.96123700  0.53997700  1.0
  P  P10  1  0.53997700  0.25102500  0.96123700  1.0
  P  P11  1  0.96123700  0.53997700  0.25102500  1.0
  O  O12  1  0.12223300  0.51408500  0.29039500  1.0
  O  O13  1  0.29039500  0.12223300  0.51408500  1.0
  O  O14  1  0.05539800  0.27245000  0.92181200  1.0
  O  O15  1  0.51408500  0.29039500  0.12223300  1.0
  O  O16  1  0.01408500  0.62223300  0.79039500  1.0
  O  O17  1  0.22542100  0.43759700  0.58311900  1.0
  O  O18  1  0.27245000  0.92181200  0.05539800  1.0
  O  O19  1  0.43759700  0.58311900  0.22542100  1.0
  O  O20  1  0.20686300  0.00003200  0.37069800  1.0
  O  O21  1  0.58311900  0.22542100  0.43759700  1.0
  O  O22  1  0.08311900  0.93759700  0.72542100  1.0
  O  O23  1  0.37069800  0.20686300  0.00003200  1.0
  O  O24  1  0.62223300  0.79039500  0.01408500  1.0
  O  O25  1  0.92181200  0.05539800  0.27245000  1.0
  O  O26  1  0.42181200  0.77245000  0.55539800  1.0
  O  O27  1  0.79039500  0.01408500  0.62223300  1.0
  O  O28  1  0.55539800  0.42181200  0.77245000  1.0
  O  O29  1  0.72542100  0.08311900  0.93759700  1.0
  O  O30  1  0.77245000  0.55539800  0.42181200  1.0
  O  O31  1  0.00003200  0.37069800  0.20686300  1.0
  O  O32  1  0.50003200  0.70686300  0.87069800  1.0
  O  O33  1  0.93759700  0.72542100  0.08311900  1.0
  O  O34  1  0.70686300  0.87069800  0.50003200  1.0
  O  O35  1  0.87069800  0.50003200  0.70686300  1.0