# generated using pymatgen
data_Cu2P2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32111688
_cell_length_b   5.32111688
_cell_length_c   4.56735228
_cell_angle_alpha   77.37420410
_cell_angle_beta   77.37420410
_cell_angle_gamma   99.28122693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2P2O7
_chemical_formula_sum   'Cu2 P2 O7'
_cell_volume   120.13807154
_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  0.68492946  0.31507054  0.00000000  1.0
  Cu  Cu1  1  0.30983871  0.69016129  0.00000000  1.0
  P  P2  1  0.79716473  0.80330786  0.40782828  1.0
  P  P3  1  0.19669214  0.20283527  0.59217172  1.0
  O  O4  1  0.61827103  0.62358147  0.72000809  1.0
  O  O5  1  0.37641853  0.38172897  0.27999191  1.0
  O  O6  1  0.04559833  0.36128178  0.77353981  1.0
  O  O7  1  0.35423047  0.05003945  0.77277770  1.0
  O  O8  1  0.94996055  0.64576953  0.22722230  1.0
  O  O9  1  0.63871822  0.95440167  0.22646019  1.0
  O  O10  1  0.99527884  0.00472116  0.50000000  1.0