# generated using pymatgen
data_SrCuP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.20894000
_cell_length_b   5.50011100
_cell_length_c   13.66044642
_cell_angle_alpha   67.23503754
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCuP2O7
_chemical_formula_sum   'Sr4 Cu4 P8 O28'
_cell_volume   568.72383227
_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
  Sr  Sr0  1  0.65631200  0.99222400  0.71867300  1.0
  Sr  Sr1  1  0.15631200  0.00777600  0.78132700  1.0
  Sr  Sr2  1  0.34368800  0.00777600  0.28132700  1.0
  Sr  Sr3  1  0.84368800  0.99222400  0.21867300  1.0
  Cu  Cu4  1  0.85442000  0.32579000  0.88731700  1.0
  Cu  Cu5  1  0.35442000  0.67421000  0.61268300  1.0
  Cu  Cu6  1  0.14558000  0.67421000  0.11268300  1.0
  Cu  Cu7  1  0.64558000  0.32579000  0.38731700  1.0
  P  P8  1  0.96301100  0.59470300  0.66139800  1.0
  P  P9  1  0.46301100  0.40529700  0.83860200  1.0
  P  P10  1  0.03698900  0.40529700  0.33860200  1.0
  P  P11  1  0.53698900  0.59470300  0.16139800  1.0
  P  P12  1  0.69375700  0.66918700  0.51218300  1.0
  P  P13  1  0.19375700  0.33081300  0.98781700  1.0
  P  P14  1  0.30624300  0.33081300  0.48781700  1.0
  P  P15  1  0.80624300  0.66918700  0.01218300  1.0
  O  O16  1  0.13974500  0.51902800  0.65125200  1.0
  O  O17  1  0.63974500  0.48097200  0.84874800  1.0
  O  O18  1  0.86025500  0.48097200  0.34874800  1.0
  O  O19  1  0.36025500  0.51902800  0.15125200  1.0
  O  O20  1  0.94169800  0.82138000  0.69764800  1.0
  O  O21  1  0.44169800  0.17862000  0.80235200  1.0
  O  O22  1  0.05830200  0.17862000  0.30235200  1.0
  O  O23  1  0.55830200  0.82138000  0.19764800  1.0
  O  O24  1  0.87574000  0.33788400  0.73469000  1.0
  O  O25  1  0.37574000  0.66211600  0.76531000  1.0
  O  O26  1  0.12426000  0.66211600  0.26531000  1.0
  O  O27  1  0.62426000  0.33788400  0.23469000  1.0
  O  O28  1  0.88341700  0.68264700  0.54479500  1.0
  O  O29  1  0.38341700  0.31735300  0.95520500  1.0
  O  O30  1  0.11658300  0.31735300  0.45520500  1.0
  O  O31  1  0.61658300  0.68264700  0.04479500  1.0
  O  O32  1  0.90623000  0.72697800  0.09735500  1.0
  O  O33  1  0.40623000  0.27302200  0.40264500  1.0
  O  O34  1  0.09377000  0.27302200  0.90264500  1.0
  O  O35  1  0.59377000  0.72697800  0.59735500  1.0
  O  O36  1  0.83598500  0.38064100  0.02341600  1.0
  O  O37  1  0.33598500  0.61935900  0.47658400  1.0
  O  O38  1  0.16401500  0.61935900  0.97658400  1.0
  O  O39  1  0.66401500  0.38064100  0.52341600  1.0
  O  O40  1  0.82258000  0.87800200  0.90104800  1.0
  O  O41  1  0.32258000  0.12199800  0.59895200  1.0
  O  O42  1  0.17742000  0.12199800  0.09895200  1.0
  O  O43  1  0.67742000  0.87800200  0.40104800  1.0