data_[K1Mn2Se2O6]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7430]
_cell_length_b [5.8722]
_cell_length_c [6.0556]
_cell_angle_alpha [100.1508]
_cell_angle_beta [116.7736]
_cell_angle_gamma [103.1145]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMn2(SeO3)2]
_chemical_formula_sum '[K1 Mn2 Se2 O6]'
_cell_volume [168.2197]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Mn  Mn1  2  0.1196  0.4635  0.3256  1
  Se  Se2  2  0.4762  0.0051  0.2684  1
  O  O3  2  0.0029  0.2969  0.5272  1
  O  O4  2  0.1854  0.7226  0.1080  1
  O  O5  2  0.3818  0.2692  0.2949  1
]