# generated using pymatgen
data_Cu2PO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17774964
_cell_length_b   7.17774964
_cell_length_c   10.14234203
_cell_angle_alpha   63.90121206
_cell_angle_beta   63.90121206
_cell_angle_gamma   51.69700082
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2PO4F
_chemical_formula_sum   'Cu8 P4 O16 F4'
_cell_volume   357.72459942
_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  0.80433700  0.31825700  0.99822700  1.0
  Cu  Cu1  1  0.68174300  0.19566300  0.50177300  1.0
  Cu  Cu2  1  0.19566300  0.68174300  0.00177300  1.0
  Cu  Cu3  1  0.31825700  0.80433700  0.49822700  1.0
  Cu  Cu4  1  0.96230800  0.73204500  0.34884600  1.0
  Cu  Cu5  1  0.26795500  0.03769200  0.15115400  1.0
  Cu  Cu6  1  0.03769200  0.26795500  0.65115400  1.0
  Cu  Cu7  1  0.73204500  0.96230800  0.84884600  1.0
  P  P8  1  0.77873200  0.56522700  0.19837600  1.0
  P  P9  1  0.43477300  0.22126800  0.30162400  1.0
  P  P10  1  0.22126800  0.43477300  0.80162400  1.0
  P  P11  1  0.56522700  0.77873200  0.69837600  1.0
  O  O12  1  0.22931800  0.40112700  0.40378200  1.0
  O  O13  1  0.59887300  0.77068200  0.09621800  1.0
  O  O14  1  0.77068200  0.59887300  0.59621800  1.0
  O  O15  1  0.40112700  0.22931800  0.90378200  1.0
  O  O16  1  0.05063300  0.36113700  0.80953000  1.0
  O  O17  1  0.63886300  0.94936700  0.69047000  1.0
  O  O18  1  0.94936700  0.63886300  0.19047000  1.0
  O  O19  1  0.36113700  0.05063300  0.30953000  1.0
  O  O20  1  0.35357300  0.49294400  0.63578400  1.0
  O  O21  1  0.50705600  0.64642700  0.86421600  1.0
  O  O22  1  0.64642700  0.50705600  0.36421600  1.0
  O  O23  1  0.49294400  0.35357300  0.13578400  1.0
  O  O24  1  0.06149000  0.66519300  0.86780400  1.0
  O  O25  1  0.33480700  0.93851000  0.63219600  1.0
  O  O26  1  0.93851000  0.33480700  0.13219600  1.0
  O  O27  1  0.66519300  0.06149000  0.36780400  1.0
  F  F28  1  0.90528400  0.14331100  0.59770100  1.0
  F  F29  1  0.85668900  0.09471600  0.90229900  1.0
  F  F30  1  0.09471600  0.85668900  0.40229900  1.0
  F  F31  1  0.14331100  0.90528400  0.09770100  1.0