data_KFeRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.14
_cell_angle_alpha   101.31
_cell_angle_beta   101.31
_cell_angle_gamma   35.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFeRh2
_chemical_formula_sum   'K1 Fe1 Rh2'
_cell_volume   87.0
_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  0.84  0.0  0.49  1.0
  Fe  Fe0  1  0.41  0.0  0.74  1.0
  Rh  Rh2  1  0.14  0.0  0.26  1.0
  Rh  Rh3  1  0.36  0.0  0.52  1.0

data_KFeRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.01
_cell_length_c   6.14
_cell_angle_alpha   101.31
_cell_angle_beta   90.0
_cell_angle_gamma   107.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KFeRh2
_chemical_formula_sum   'K1 Fe1 Rh2'
_cell_volume   87.0
_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  0.16  0.51  1.0
  Fe  Fe1  1  0.0  0.59  0.26  1.0
  Rh  Rh2  1  0.0  0.64  0.48  1.0
  Rh  Rh3  1  0.0  0.86  0.74  1.0

K Fe Rh Rh