data_CaNbRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.94
_cell_angle_alpha   99.68
_cell_angle_beta   99.68
_cell_angle_gamma   31.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbRh2
_chemical_formula_sum   'Ca1 Nb1 Rh2'
_cell_volume   70.74
_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  0.51  0.0  0.15  1.0
  Nb  Nb1  1  0.03  0.0  0.99  1.0
  Rh  Rh2  1  0.31  0.0  0.63  1.0
  Rh  Rh3  1  0.12  0.0  0.37  1.0

data_CaNbRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.94
_cell_length_c   5.25
_cell_angle_alpha   99.68
_cell_angle_beta   105.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbRh2
_chemical_formula_sum   'Ca1 Nb1 Rh2'
_cell_volume   70.74
_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  0.15  0.51  1.0
  Nb  Nb1  1  0.0  0.99  0.03  1.0
  Rh  Rh2  1  0.0  0.37  0.12  1.0
  Rh  Rh3  1  0.0  0.63  0.31  1.0

Ca Nb Rh Rh