data_Na2CaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   5.64
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   94.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaRh
_chemical_formula_sum   'Na2 Ca1 Rh1'
_cell_volume   95.98
_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  0.69  0.82  0.51  1.0
  Na  Na2  1  0.42  0.82  0.36  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.56  0.0  0.43  1.0

data_Na2CaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.88
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaRh
_chemical_formula_sum   'Na2 Ca1 Rh1'
_cell_volume   95.98
_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  Na0  1  0.31  0.49  0.18  1.0
  Na  Na1  1  0.58  0.64  0.18  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.44  0.57  0.0  1.0

Na Na Ca Rh