[CIF]
data_MnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98518300
_cell_length_b   7.98518300
_cell_length_c   7.98518300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnP2O7
_chemical_formula_sum   'Mn4 P8 O28'
_cell_volume   509.16040179
_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
  Mn  Mn0  1  3.99259150  3.99259150  3.99259150  1
  Mn  Mn1  1  3.99259150  0.00000000  0.00000000  1
  Mn  Mn2  1  0.00000000  3.99259150  0.00000000  1
  Mn  Mn3  1  0.00000000  0.00000000  3.99259150  1
  P  P4  1  4.92110059  3.06408241  7.05667391  1
  P  P5  1  4.92110059  0.92850909  3.06408241  1
  P  P6  1  7.05667391  4.92110059  3.06408241  1
  P  P7  1  7.05667391  7.05667391  7.05667391  1
  P  P8  1  0.92850909  0.92850909  0.92850909  1
  P  P9  1  0.92850909  3.06408241  4.92110059  1
  P  P10  1  3.06408241  4.92110059  0.92850909  1
  P  P11  1  3.06408241  7.05667391  4.92110059  1
  O  O12  1  3.99259150  3.99259150  0.00000000  1
  O  O13  1  3.99259150  0.00000000  3.99259150  1
  O  O14  1  4.44538332  1.62271695  7.10025703  1
  O  O15  1  4.44538332  2.36987455  3.10766553  1
  O  O16  1  4.87751747  3.53979968  5.61530845  1
  O  O17  1  4.87751747  0.45279182  1.62271695  1
  O  O18  1  5.61530845  4.87751747  3.53979968  1
  O  O19  1  5.61530845  7.10025703  7.53239118  1
  O  O20  1  6.36246605  0.88492597  3.53979968  1
  O  O21  1  6.36246605  3.10766553  7.53239118  1
  O  O22  1  7.10025703  4.44538332  1.62271695  1
  O  O23  1  7.10025703  7.53239118  5.61530845  1
  O  O24  1  7.53239118  6.36246605  3.10766553  1
  O  O25  1  7.53239118  5.61530845  7.10025703  1
  O  O26  1  0.00000000  0.00000000  0.00000000  1
  O  O27  1  0.00000000  3.99259150  3.99259150  1
  O  O28  1  0.45279182  1.62271695  4.87751747  1
  O  O29  1  0.45279182  2.36987455  0.88492597  1
  O  O30  1  0.88492597  0.45279182  2.36987455  1
  O  O31  1  0.88492597  3.53979968  6.36246605  1
  O  O32  1  1.62271695  4.87751747  0.45279182  1
  O  O33  1  1.62271695  7.10025703  4.44538332  1
  O  O34  1  2.36987455  0.88492597  0.45279182  1
  O  O35  1  2.36987455  3.10766553  4.44538332  1
  O  O36  1  3.10766553  4.44538332  2.36987455  1
  O  O37  1  3.10766553  7.53239118  6.36246605  1
  O  O38  1  3.53979968  5.61530845  4.87751747  1
  O  O39  1  3.53979968  6.36246605  0.88492597  1
[/CIF]
