# generated using pymatgen
data_Cu2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38953182
_cell_length_b   5.38953182
_cell_length_c   4.63145062
_cell_angle_alpha   77.06076260
_cell_angle_beta   77.06076260
_cell_angle_gamma   98.94504280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2P2O7
_chemical_formula_sum   'Cu2 P2 O7'
_cell_volume   124.75462074
_cell_formula_units_Z   1
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  0.68934000  0.31066000  0.00000000  1.0
  Cu  Cu1  1  0.31169900  0.68830100  0.00000000  1.0
  P  P2  1  0.79773800  0.80578000  0.40904800  1.0
  P  P3  1  0.19422000  0.20226200  0.59095200  1.0
  O  O4  1  0.62175900  0.62169100  0.72080200  1.0
  O  O5  1  0.37830900  0.37824100  0.27919800  1.0
  O  O6  1  0.05193300  0.36409500  0.77596600  1.0
  O  O7  1  0.34962700  0.04322100  0.76584000  1.0
  O  O8  1  0.95677900  0.65037300  0.23416000  1.0
  O  O9  1  0.63590500  0.94806700  0.22403400  1.0
  O  O10  1  0.97979300  0.02020700  0.50000000  1.0