# generated using pymatgen
data_Cu2PHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96663400
_cell_length_b   8.13574100
_cell_length_c   8.52248800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PHO5
_chemical_formula_sum   'Cu8 P4 H4 O20'
_cell_volume   413.70704009
_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  0.24880400  0.00000000  0.50000000  1.0
  Cu  Cu1  1  0.25119600  0.50000000  0.00000000  1.0
  Cu  Cu2  1  0.75119600  0.00000000  0.50000000  1.0
  Cu  Cu3  1  0.74880400  0.50000000  0.00000000  1.0
  Cu  Cu4  1  0.50000000  0.63851300  0.37139900  1.0
  Cu  Cu5  1  0.50000000  0.36148700  0.62860100  1.0
  Cu  Cu6  1  0.00000000  0.13851300  0.12860100  1.0
  Cu  Cu7  1  0.00000000  0.86148700  0.87139900  1.0
  P  P8  1  0.00000000  0.76762500  0.25354500  1.0
  P  P9  1  0.00000000  0.23237500  0.74645500  1.0
  P  P10  1  0.50000000  0.26762500  0.24645500  1.0
  P  P11  1  0.50000000  0.73237500  0.75354500  1.0
  H  H12  1  0.50000000  0.92354300  0.29167000  1.0
  H  H13  1  0.50000000  0.07645700  0.70833000  1.0
  H  H14  1  0.00000000  0.42354300  0.20833000  1.0
  H  H15  1  0.00000000  0.57645700  0.79167000  1.0
  O  O16  1  0.00000000  0.86345600  0.41442100  1.0
  O  O17  1  0.00000000  0.13654400  0.58557900  1.0
  O  O18  1  0.50000000  0.36345600  0.08557900  1.0
  O  O19  1  0.50000000  0.63654400  0.91442100  1.0
  O  O20  1  0.00000000  0.89828900  0.11860500  1.0
  O  O21  1  0.00000000  0.10171100  0.88139500  1.0
  O  O22  1  0.50000000  0.39828900  0.38139500  1.0
  O  O23  1  0.50000000  0.60171100  0.61860500  1.0
  O  O24  1  0.21042200  0.65792300  0.24135400  1.0
  O  O25  1  0.21042200  0.34207700  0.75864600  1.0
  O  O26  1  0.28957800  0.15792300  0.25864600  1.0
  O  O27  1  0.28957800  0.84207700  0.74135400  1.0
  O  O28  1  0.78957800  0.34207700  0.75864600  1.0
  O  O29  1  0.78957800  0.65792300  0.24135400  1.0
  O  O30  1  0.71042200  0.84207700  0.74135400  1.0
  O  O31  1  0.71042200  0.15792300  0.25864600  1.0
  O  O32  1  0.50000000  0.87552800  0.39784600  1.0
  O  O33  1  0.50000000  0.12447200  0.60215400  1.0
  O  O34  1  0.00000000  0.37552800  0.10215400  1.0
  O  O35  1  0.00000000  0.62447200  0.89784600  1.0