data_KB2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   3.91
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB2Rh
_chemical_formula_sum   'K1 B2 Rh1'
_cell_volume   59.5
_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  0.42  0.95  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  B  B1  1  0.42  0.0  0.69  1.0
  Rh  Rh3  1  0.0  0.95  0.69  1.0

data_KB2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   3.91
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KB2Rh
_chemical_formula_sum   'K1 B2 Rh1'
_cell_volume   59.5
_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  0.42  0.95  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.42  0.0  0.69  1.0
  Rh  Rh3  1  0.0  0.95  0.69  1.0

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