# generated using pymatgen
data_InCuPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71456200
_cell_length_b   7.38048400
_cell_length_c   7.93096700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCuPO5
_chemical_formula_sum   'In4 Cu4 P4 O20'
_cell_volume   393.03269039
_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
  In  In0  1  0.25000000  0.21114000  0.17396200  1.0
  In  In1  1  0.75000000  0.71114000  0.32603800  1.0
  In  In2  1  0.75000000  0.78886000  0.82603800  1.0
  In  In3  1  0.25000000  0.28886000  0.67396200  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.00000000  1.0
  Cu  Cu6  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu7  1  0.50000000  0.00000000  0.50000000  1.0
  P  P8  1  0.25000000  0.64185000  0.39148400  1.0
  P  P9  1  0.75000000  0.14185000  0.10851600  1.0
  P  P10  1  0.75000000  0.35815000  0.60851600  1.0
  P  P11  1  0.25000000  0.85815000  0.89148400  1.0
  O  O12  1  0.75000000  0.04839600  0.93640200  1.0
  O  O13  1  0.06324200  0.76923700  0.37684100  1.0
  O  O14  1  0.43675800  0.76923700  0.37684100  1.0
  O  O15  1  0.25000000  0.98918300  0.74060300  1.0
  O  O16  1  0.56324200  0.23076300  0.62315900  1.0
  O  O17  1  0.75000000  0.01081700  0.25939700  1.0
  O  O18  1  0.43675800  0.73076300  0.87684100  1.0
  O  O19  1  0.56324200  0.26923700  0.12315900  1.0
  O  O20  1  0.93675800  0.26923700  0.12315900  1.0
  O  O21  1  0.06324200  0.73076300  0.87684100  1.0
  O  O22  1  0.75000000  0.87540600  0.56995100  1.0
  O  O23  1  0.25000000  0.37540600  0.93004900  1.0
  O  O24  1  0.25000000  0.12459400  0.43004900  1.0
  O  O25  1  0.75000000  0.45160400  0.43640200  1.0
  O  O26  1  0.25000000  0.51081700  0.24060300  1.0
  O  O27  1  0.25000000  0.95160400  0.06359800  1.0
  O  O28  1  0.25000000  0.54839600  0.56359800  1.0
  O  O29  1  0.75000000  0.62459400  0.06995100  1.0
  O  O30  1  0.75000000  0.48918300  0.75939700  1.0
  O  O31  1  0.93675800  0.23076300  0.62315900  1.0