data_[K2Mn2P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [P2_1/m]
_cell_length_a [5.3576]
_cell_length_b [5.6831]
_cell_length_c [7.0753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KMnPO4]
_chemical_formula_sum '[K2 Mn2 P2 O8]'
_cell_volume [205.9785]
_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
[
  K  K0  2  0.3011  0.2500  0.0644  1.0
  Mn  Mn1  2  0.2031  0.2500  0.5295  1.0
  P  P2  2  0.2488  0.7500  0.3429  1.0
  O  O3  4  0.0579  0.5333  0.3119  1.0
  O  O4  2  0.4178  0.7500  0.1989  1.0
  O  O5  2  0.4351  0.7500  0.5562  1.0
]