data_KCaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   4.49
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KCaRh2
_chemical_formula_sum   'K1 Ca1 Rh2'
_cell_volume   97.14
_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
  Ca  Ca0  1  0.0  0.0  0.64  1.0
  Rh  Rh2  1  0.49  0.24  0.38  1.0
  Rh  Rh3  1  0.49  0.24  0.9  1.0

data_KCaRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.49
_cell_length_b   2.98
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KCaRh2
_chemical_formula_sum   'K1 Ca1 Rh2'
_cell_volume   97.14
_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
  Ca  Ca1  1  0.0  0.0  0.64  1.0
  Rh  Rh2  1  0.24  0.5  0.38  1.0
  Rh  Rh3  1  0.24  0.5  0.9  1.0

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