data_K2CuB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   5.64
_cell_angle_alpha   125.99
_cell_angle_beta   125.99
_cell_angle_gamma   79.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2CuB
_chemical_formula_sum   'K2 Cu1 B1'
_cell_volume   113.58
_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  0.56  0.0  0.16  1.0
  K  K3  1  0.0  0.56  0.16  1.0
  Cu  Cu1  1  0.0  0.0  0.33  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_K2CuB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   129.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2CuB
_chemical_formula_sum   'K4 Cu2 B2'
_cell_volume   227.16
_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  4  0.12  0.28  0.4  1.0
  Cu  Cu1  2  0.17  0.5  0.67  1.0
  B  B2  2  0.0  0.0  0.0  1.0

K K Cu B
K K Cu B 0 2 + o o 1 2 o + o 2 3 o o o 