# generated using pymatgen
data_CaP2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64185300
_cell_length_b   6.29135716
_cell_length_c   13.29917182
_cell_angle_alpha   83.45889386
_cell_angle_beta   79.06672335
_cell_angle_gamma   66.59575503
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaP2O9
_chemical_formula_sum   'Ca2 P4 O18'
_cell_volume   424.96146109
_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  0.98261300  0.74139700  0.08559100  1.0
  Ca  Ca1  1  0.01738700  0.25860300  0.91440900  1.0
  P  P2  1  0.44610400  0.29172300  0.09272100  1.0
  P  P3  1  0.55389600  0.70827700  0.90727900  1.0
  P  P4  1  0.72475800  0.63253100  0.36046600  1.0
  P  P5  1  0.27524200  0.36746900  0.63953400  1.0
  O  O6  1  0.24229800  0.32059800  0.02711800  1.0
  O  O7  1  0.75770200  0.67940200  0.97288200  1.0
  O  O8  1  0.73091100  0.14636200  0.05290300  1.0
  O  O9  1  0.26908900  0.85363800  0.94709700  1.0
  O  O10  1  0.38211700  0.50583000  0.14867900  1.0
  O  O11  1  0.61788300  0.49417000  0.85132100  1.0
  O  O12  1  0.40536200  0.07240800  0.19296100  1.0
  O  O13  1  0.59463800  0.92759200  0.80703900  1.0
  O  O14  1  0.78544000  0.68408300  0.24544700  1.0
  O  O15  1  0.21456000  0.31591700  0.75455300  1.0
  O  O16  1  0.42930800  0.72648100  0.40040900  1.0
  O  O17  1  0.57069200  0.27351900  0.59959100  1.0
  O  O18  1  0.83602900  0.75852000  0.42079100  1.0
  O  O19  1  0.16397100  0.24148000  0.57920900  1.0
  O  O20  1  0.85568600  0.37042700  0.38583900  1.0
  O  O21  1  0.14431400  0.62957300  0.61416100  1.0
  O  O22  1  0.17574000  0.07093900  0.22486600  1.0
  O  O23  1  0.82426000  0.92906100  0.77513400  1.0