data_Na2CaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   6.94
_cell_angle_alpha   111.43
_cell_angle_beta   111.43
_cell_angle_gamma   37.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaRh
_chemical_formula_sum   'Na2 Ca1 Rh1'
_cell_volume   109.41
_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  0.56  0.0  0.32  1.0
  Na  Na2  1  0.56  0.0  0.67  1.0
  Ca  Ca0  1  0.2  0.0  0.02  1.0
  Rh  Rh3  1  0.99  0.0  1.0  1.0

data_Na2CaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   5.29
_cell_length_c   6.94
_cell_angle_alpha   111.43
_cell_angle_beta   90.0
_cell_angle_gamma   108.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CaRh
_chemical_formula_sum   'Na2 Ca1 Rh1'
_cell_volume   109.41
_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  0.0  0.44  0.33  1.0
  Na  Na1  1  0.0  0.44  0.68  1.0
  Ca  Ca2  1  0.0  0.8  0.98  1.0
  Rh  Rh3  1  0.0  0.01  0.0  1.0

Na Na Ca Rh