data_[K1Mn2B2O6]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3771]
_cell_length_b [5.4760]
_cell_length_c [6.3514]
_cell_angle_alpha [110.7230]
_cell_angle_beta [112.0582]
_cell_angle_gamma [92.8983]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KMn2(BO3)2]
_chemical_formula_sum '[K1 Mn2 B2 O6]'
_cell_volume [158.4443]
_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  1.0
  Mn  Mn1  2  0.1730  0.7835  0.5581  1.0
  B  B2  2  0.2388  0.2379  0.3303  1.0
  O  O3  2  0.0355  0.3840  0.2743  1.0
  O  O4  2  0.2017  0.1119  0.4793  1.0
  O  O5  2  0.4438  0.2243  0.2560  1.0
]