data_[Mn2P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0825]
_cell_length_b [5.1973]
_cell_length_c [6.2049]
_cell_angle_alpha [78.8091]
_cell_angle_beta [88.3256]
_cell_angle_gamma [72.9353]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MnPO4]
_chemical_formula_sum '[Mn2 P2 O8]'
_cell_volume [153.6406]
_cell_formula_units_Z [2]
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  2  0.1211  0.2598  0.7088  1.0
  P  P1  2  0.2983  0.1532  0.2144  1.0
  O  O2  2  0.1377  0.3599  0.3666  1.0
  O  O3  2  0.1991  0.8994  0.2509  1.0
  O  O4  2  0.2585  0.3164  0.9753  1.0
  O  O5  2  0.3926  0.9188  0.7145  1.0
]