data_NaCaRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   2.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaRh2
_chemical_formula_sum   'Na1 Ca1 Rh2'
_cell_volume   74.15
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.86  0.0  0.0  1.0
  Rh  Rh2  1  0.43  0.17  0.49  1.0
  Rh  Rh3  1  0.43  0.83  0.49  1.0

data_NaCaRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.19
_cell_length_b   2.99
_cell_length_c   5.19
_cell_angle_alpha   90.0
_cell_angle_beta   113.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaCaRh2
_chemical_formula_sum   'Na1 Ca1 Rh2'
_cell_volume   74.15
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ca  Ca1  1  0.86  0.0  0.0  1.0
  Rh  Rh2  1  0.43  0.5  0.17  1.0
  Rh  Rh3  1  0.43  0.5  0.83  1.0

Na Ca Rh Rh