# generated using pymatgen
data_CaP3NO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97204691
_cell_length_b   6.97204691
_cell_length_c   10.86546600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000861
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaP3NO9
_chemical_formula_sum   'Ca2 P6 N2 O18'
_cell_volume   457.40357204
_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  0.00000000  0.00000000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.50000000  1.0
  P  P2  1  0.71793400  0.11512000  0.25000000  1.0
  P  P3  1  0.88488000  0.60281300  0.25000000  1.0
  P  P4  1  0.71793400  0.60281300  0.75000000  1.0
  P  P5  1  0.39718700  0.28206600  0.25000000  1.0
  P  P6  1  0.88488000  0.28206600  0.75000000  1.0
  P  P7  1  0.39718700  0.11512000  0.75000000  1.0
  N  N8  1  0.33333300  0.66666700  0.00000000  1.0
  N  N9  1  0.33333300  0.66666700  0.50000000  1.0
  O  O10  1  0.27499100  0.25779200  0.13238000  1.0
  O  O11  1  0.74220800  0.01719900  0.13238000  1.0
  O  O12  1  0.27499100  0.25779200  0.36762000  1.0
  O  O13  1  0.27499100  0.01719900  0.63238000  1.0
  O  O14  1  0.98280100  0.72500900  0.13238000  1.0
  O  O15  1  0.74220800  0.01719900  0.36762000  1.0
  O  O16  1  0.74220800  0.72500900  0.63238000  1.0
  O  O17  1  0.27499100  0.01719900  0.86762000  1.0
  O  O18  1  0.98280100  0.72500900  0.36762000  1.0
  O  O19  1  0.74220800  0.72500900  0.86762000  1.0
  O  O20  1  0.98280100  0.25779200  0.63238000  1.0
  O  O21  1  0.98280100  0.25779200  0.86762000  1.0
  O  O22  1  0.48279700  0.10500800  0.25000000  1.0
  O  O23  1  0.89499200  0.37778900  0.25000000  1.0
  O  O24  1  0.48279700  0.37778900  0.75000000  1.0
  O  O25  1  0.62221100  0.51720300  0.25000000  1.0
  O  O26  1  0.89499200  0.51720300  0.75000000  1.0
  O  O27  1  0.62221100  0.10500800  0.75000000  1.0