data_CaNb2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   122.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb2Rh
_chemical_formula_sum   'Ca1 Nb2 Rh1'
_cell_volume   74.85
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.33  0.45  0.43  1.0
  Nb  Nb2  1  0.33  0.55  0.43  1.0
  Rh  Rh3  1  0.67  0.0  0.0  1.0

data_CaNb2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   5.34
_cell_length_c   5.58
_cell_angle_alpha   118.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb2Rh
_chemical_formula_sum   'Ca1 Nb2 Rh1'
_cell_volume   74.85
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.43  0.45  0.79  1.0
  Nb  Nb2  1  0.43  0.55  0.88  1.0
  Rh  Rh3  1  0.0  0.0  0.67  1.0

Ca Nb Nb Rh