# generated using pymatgen
data_Cu3P2NO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53329000
_cell_length_b   6.56518200
_cell_length_c   19.31184400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3P2NO6
_chemical_formula_sum   'Cu12 P8 N4 O24'
_cell_volume   828.32820731
_cell_formula_units_Z   4
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
  Cu  Cu0  1  0.58631000  0.62137600  0.62393100  1.0
  Cu  Cu1  1  0.41369000  0.12137600  0.37606900  1.0
  Cu  Cu2  1  0.08631000  0.12137600  0.87606900  1.0
  Cu  Cu3  1  0.91369000  0.62137600  0.12393100  1.0
  Cu  Cu4  1  0.17937800  0.63144700  0.63112400  1.0
  Cu  Cu5  1  0.82062200  0.13144700  0.36887600  1.0
  Cu  Cu6  1  0.67937800  0.13144700  0.86887600  1.0
  Cu  Cu7  1  0.32062200  0.63144700  0.13112400  1.0
  Cu  Cu8  1  0.49578500  0.26153200  0.56348900  1.0
  Cu  Cu9  1  0.50421500  0.76153200  0.43651100  1.0
  Cu  Cu10  1  0.99578500  0.76153200  0.93651100  1.0
  Cu  Cu11  1  0.00421500  0.26153200  0.06348900  1.0
  P  P12  1  0.38161400  0.86209600  0.58466300  1.0
  P  P13  1  0.61838600  0.36209600  0.41533700  1.0
  P  P14  1  0.88161400  0.36209600  0.91533700  1.0
  P  P15  1  0.11838600  0.86209600  0.08466300  1.0
  P  P16  1  0.88537600  0.70635900  0.57860300  1.0
  P  P17  1  0.11462400  0.20635900  0.42139700  1.0
  P  P18  1  0.38537600  0.20635900  0.92139700  1.0
  P  P19  1  0.61462400  0.70635900  0.07860300  1.0
  N  N20  1  0.40158700  0.46776600  0.74832000  1.0
  N  N21  1  0.59841300  0.96776600  0.25168000  1.0
  N  N22  1  0.90158700  0.96776600  0.75168000  1.0
  N  N23  1  0.09841300  0.46776600  0.24832000  1.0
  O  O24  1  0.62783100  0.40011000  0.49437500  1.0
  O  O25  1  0.37216900  0.90011000  0.50562500  1.0
  O  O26  1  0.12783100  0.90011000  0.00562500  1.0
  O  O27  1  0.87216900  0.40011000  0.99437500  1.0
  O  O28  1  0.88708100  0.85625200  0.52001800  1.0
  O  O29  1  0.11291900  0.35625200  0.47998200  1.0
  O  O30  1  0.38708100  0.35625200  0.97998200  1.0
  O  O31  1  0.61291900  0.85625200  0.02001800  1.0
  O  O32  1  0.88952700  0.56688100  0.87620600  1.0
  O  O33  1  0.11047300  0.06688100  0.12379400  1.0
  O  O34  1  0.38952700  0.06688100  0.62379400  1.0
  O  O35  1  0.61047300  0.56688100  0.37620600  1.0
  O  O36  1  0.56820100  0.47654000  0.71292100  1.0
  O  O37  1  0.43179900  0.97654000  0.28707900  1.0
  O  O38  1  0.06820100  0.97654000  0.78707900  1.0
  O  O39  1  0.93179900  0.47654000  0.21292100  1.0
  O  O40  1  0.41206900  0.44294900  0.81187200  1.0
  O  O41  1  0.58793100  0.94294900  0.18812800  1.0
  O  O42  1  0.91206900  0.94294900  0.68812800  1.0
  O  O43  1  0.08793100  0.44294900  0.31187200  1.0
  O  O44  1  0.22558500  0.48389100  0.71877300  1.0
  O  O45  1  0.77441500  0.98389100  0.28122700  1.0
  O  O46  1  0.72558500  0.98389100  0.78122700  1.0
  O  O47  1  0.27441500  0.48389100  0.21877300  1.0