data_KYB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98
_cell_length_b   7.98
_cell_length_c   7.98
_cell_angle_alpha   26.89
_cell_angle_beta   26.89
_cell_angle_gamma   26.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KYB2
_chemical_formula_sum   'K1 Y1 B2'
_cell_volume   91.61
_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
  Y  Y3  1  0.0  0.0  0.53  1.0
  B  B0  1  0.0  0.0  0.33  1.0
  B  B1  1  0.0  0.0  0.73  1.0

data_KYB2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.43
_cell_length_b   3.71
_cell_length_c   7.98
_cell_angle_alpha   90.0
_cell_angle_beta   105.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KYB2
_chemical_formula_sum   'K2 Y2 B4'
_cell_volume   183.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Y  Y1  2  0.0  0.0  0.47  1.0
  B  B2  2  0.0  0.0  0.27  1.0
  B  B3  2  0.0  0.0  0.67  1.0

K Y B B