data_KRh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KRh3
_chemical_formula_sum   'K2 Rh6'
_cell_volume   145.69
_cell_formula_units_Z   2
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  0.65  0.53  0.15  1.0
  K  K1  1  0.65  0.47  0.45  1.0
  Rh  Rh2  1  0.65  0.33  0.45  1.0
  Rh  Rh3  1  0.65  0.67  0.15  1.0
  Rh  Rh4  1  0.41  0.5  0.45  1.0
  Rh  Rh5  1  0.9  0.5  0.15  1.0
  Rh  Rh6  1  0.9  0.5  0.45  1.0
  Rh  Rh7  1  0.41  0.5  0.15  1.0

data_KRh3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.6
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   99.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   KRh3
_chemical_formula_sum   'K2 Rh6'
_cell_volume   145.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.15  0.5  0.47  1.0
  Rh  Rh1  2  0.15  0.25  0.5  1.0
  Rh  Rh2  2  0.15  0.5  0.33  1.0
  Rh  Rh3  2  0.15  0.75  0.5  1.0

K K Rh Rh Rh Rh Rh Rh