# generated using pymatgen
data_CaTiCu(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.80521135
_cell_length_b   8.80519818
_cell_length_c   8.80519570
_cell_angle_alpha   58.69459216
_cell_angle_beta   58.69461433
_cell_angle_gamma   58.69452204
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTiCu(PO4)3
_chemical_formula_sum   'Ca2 Ti2 Cu2 P6 O24'
_cell_volume   468.32877837
_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  0.99654600  0.99654700  0.99654800  1.0
  Ca  Ca1  1  0.49654600  0.49654400  0.49654400  1.0
  Ti  Ti2  1  0.14606000  0.14606300  0.14606200  1.0
  Ti  Ti3  1  0.64605900  0.64606100  0.64605800  1.0
  Cu  Cu4  1  0.35236100  0.35236100  0.35236100  1.0
  Cu  Cu5  1  0.85236700  0.85236400  0.85236600  1.0
  P  P6  1  0.03938900  0.46086300  0.75124500  1.0
  P  P7  1  0.46086200  0.75124600  0.03938900  1.0
  P  P8  1  0.75124500  0.03938900  0.46086200  1.0
  P  P9  1  0.25123800  0.96084900  0.53940300  1.0
  P  P10  1  0.53940300  0.25123800  0.96085000  1.0
  P  P11  1  0.96085000  0.53940300  0.25123800  1.0
  O  O12  1  0.12125300  0.51701700  0.29202400  1.0
  O  O13  1  0.29202200  0.12125400  0.51701700  1.0
  O  O14  1  0.05476200  0.27180600  0.92241700  1.0
  O  O15  1  0.51701700  0.29202500  0.12125300  1.0
  O  O16  1  0.01698000  0.62134300  0.79204400  1.0
  O  O17  1  0.22614400  0.43931000  0.58218800  1.0
  O  O18  1  0.27180500  0.92241700  0.05476200  1.0
  O  O19  1  0.43931200  0.58218700  0.22614500  1.0
  O  O20  1  0.20702700  0.99926100  0.37031100  1.0
  O  O21  1  0.58218800  0.22614400  0.43931000  1.0
  O  O22  1  0.08211500  0.93928800  0.72619800  1.0
  O  O23  1  0.37031000  0.20702700  0.99926200  1.0
  O  O24  1  0.62134300  0.79204200  0.01698000  1.0
  O  O25  1  0.92241600  0.05476200  0.27180500  1.0
  O  O26  1  0.42241700  0.77180200  0.55476300  1.0
  O  O27  1  0.79204500  0.01697800  0.62134300  1.0
  O  O28  1  0.55476500  0.42241500  0.77180300  1.0
  O  O29  1  0.72619700  0.08211600  0.93928500  1.0
  O  O30  1  0.77180100  0.55476600  0.42241500  1.0
  O  O31  1  0.99926300  0.37031100  0.20702700  1.0
  O  O32  1  0.49926400  0.70702900  0.87030800  1.0
  O  O33  1  0.93928500  0.72619700  0.08211600  1.0
  O  O34  1  0.70702800  0.87030600  0.49926400  1.0
  O  O35  1  0.87030800  0.49926300  0.70702800  1.0