data_KB2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.78
_cell_angle_alpha   132.48
_cell_angle_beta   132.48
_cell_angle_gamma   69.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB2Rh
_chemical_formula_sum   'K1 B2 Rh1'
_cell_volume   58.32
_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  0.93  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.93  0.0  0.96  1.0
  Rh  Rh3  1  0.0  0.93  0.96  1.0

data_KB2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.85
_cell_length_c   4.78
_cell_angle_alpha   113.76
_cell_angle_beta   113.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB2Rh
_chemical_formula_sum   'K1 B2 Rh1'
_cell_volume   58.32
_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  0.07  0.0  0.07  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.04  0.0  0.96  1.0
  Rh  Rh3  1  0.96  0.93  0.96  1.0

K B B Rh
K B B Rh 0 1 o o + 1 2 - o - 1 3 o - - 