data_KCrRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.76
_cell_angle_alpha   100.96
_cell_angle_beta   100.96
_cell_angle_gamma   39.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrRh2
_chemical_formula_sum   'K1 Cr1 Rh2'
_cell_volume   84.32
_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  K1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.52  0.0  0.31  1.0
  Rh  Rh2  1  0.86  0.0  0.22  1.0
  Rh  Rh3  1  0.18  0.0  0.4  1.0

data_KCrRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.47
_cell_length_c   6.76
_cell_angle_alpha   100.96
_cell_angle_beta   90.0
_cell_angle_gamma   109.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCrRh2
_chemical_formula_sum   'K1 Cr1 Rh2'
_cell_volume   84.32
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.48  0.69  1.0
  Rh  Rh2  1  0.0  0.14  0.78  1.0
  Rh  Rh3  1  0.0  0.82  0.6  1.0

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