data_KMg2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   3.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2Rh
_chemical_formula_sum   'K1 Mg2 Rh1'
_cell_volume   85.57
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.77  0.81  0.66  1.0
  Mg  Mg2  1  0.77  0.19  0.66  1.0
  Rh  Rh3  1  0.55  0.0  0.0  1.0

data_KMg2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.33
_cell_length_b   5.07
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KMg2Rh
_chemical_formula_sum   'K1 Mg2 Rh1'
_cell_volume   85.59
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  Mg  Mg1  2  0.66  0.19  0.77  1.0
  Rh  Rh2  1  0.0  0.0  0.55  1.0

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