data_KMnB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   6.35
_cell_angle_alpha   112.05
_cell_angle_beta   112.05
_cell_angle_gamma   44.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnB2
_chemical_formula_sum   'K1 Mn1 B2'
_cell_volume   61.77
_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  K2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.31  0.0  0.9  1.0
  B  B0  1  0.44  0.0  0.82  1.0
  B  B1  1  0.18  0.0  0.99  1.0

data_KMnB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   3.89
_cell_length_c   6.08
_cell_angle_alpha   75.67
_cell_angle_beta   75.91
_cell_angle_gamma   67.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnB2
_chemical_formula_sum   'K1 Mn1 B2'
_cell_volume   61.77
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.0  0.4  0.9  1.0
  B  B2  1  0.0  0.19  0.99  1.0
  B  B3  1  0.0  0.62  0.82  1.0

K Mn B B