# generated using pymatgen
data_CaCu3P3O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22587200
_cell_length_b   7.57733200
_cell_length_c   10.22152150
_cell_angle_alpha   79.90446242
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCu3P3O13
_chemical_formula_sum   'Ca2 Cu6 P6 O26'
_cell_volume   474.73931341
_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  0.75000000  0.33735100  0.19484200  1.0
  Ca  Ca1  1  0.25000000  0.66264900  0.80515800  1.0
  Cu  Cu2  1  0.25000000  0.64899500  0.20164000  1.0
  Cu  Cu3  1  0.75000000  0.35100500  0.79836000  1.0
  Cu  Cu4  1  0.25000000  0.23486600  0.43543400  1.0
  Cu  Cu5  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu6  1  0.75000000  0.76513400  0.56456600  1.0
  Cu  Cu7  1  0.00000000  0.00000000  0.00000000  1.0
  P  P8  1  0.25000000  0.79047400  0.48369500  1.0
  P  P9  1  0.75000000  0.20952600  0.51630500  1.0
  P  P10  1  0.25000000  0.25701000  0.75979900  1.0
  P  P11  1  0.75000000  0.74299000  0.24020100  1.0
  P  P12  1  0.75000000  0.68764100  0.88714800  1.0
  P  P13  1  0.25000000  0.31235900  0.11285200  1.0
  O  O14  1  0.75000000  0.63539800  0.74418200  1.0
  O  O15  1  0.56084500  0.24736900  0.41337300  1.0
  O  O16  1  0.25000000  0.19690100  0.62575900  1.0
  O  O17  1  0.54359300  0.79439200  0.90226500  1.0
  O  O18  1  0.75000000  0.35322800  0.60582900  1.0
  O  O19  1  0.75000000  0.11948300  0.90816100  1.0
  O  O20  1  0.25000000  0.64677200  0.39417100  1.0
  O  O21  1  0.04359300  0.20560800  0.09773500  1.0
  O  O22  1  0.25000000  0.97530800  0.39791700  1.0
  O  O23  1  0.75000000  0.02469200  0.60208300  1.0
  O  O24  1  0.06151500  0.37873200  0.78884700  1.0
  O  O25  1  0.25000000  0.88051700  0.09183900  1.0
  O  O26  1  0.56151500  0.62126800  0.21115300  1.0
  O  O27  1  0.75000000  0.49775400  0.97000600  1.0
  O  O28  1  0.75000000  0.80309900  0.37424100  1.0
  O  O29  1  0.45640700  0.20560800  0.09773500  1.0
  O  O30  1  0.93915500  0.24736900  0.41337300  1.0
  O  O31  1  0.43915500  0.75263100  0.58662700  1.0
  O  O32  1  0.43848500  0.37873200  0.78884700  1.0
  O  O33  1  0.25000000  0.36460200  0.25581800  1.0
  O  O34  1  0.75000000  0.91944500  0.13348600  1.0
  O  O35  1  0.25000000  0.08055500  0.86651400  1.0
  O  O36  1  0.93848500  0.62126800  0.21115300  1.0
  O  O37  1  0.95640700  0.79439200  0.90226500  1.0
  O  O38  1  0.06084500  0.75263100  0.58662700  1.0
  O  O39  1  0.25000000  0.50224600  0.02999400  1.0