data_Na2MnCd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   124.75
_cell_angle_beta   122.85
_cell_angle_gamma   83.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnCd
_chemical_formula_sum   'Na2 Mn1 Cd1'
_cell_volume   92.38
_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  Na2  1  0.0  0.48  0.87  1.0
  Na  Na3  1  0.0  0.0  0.81  1.0
  Mn  Mn1  1  0.0  0.0  0.97  1.0
  Cd  Cd0  1  0.41  0.0  0.83  1.0

data_Na2MnCd
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.81
_cell_length_b   4.96
_cell_length_c   5.19
_cell_angle_alpha   118.57
_cell_angle_beta   117.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2MnCd
_chemical_formula_sum   'Na2 Mn1 Cd1'
_cell_volume   92.38
_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  0.81  0.81  1.0
  Na  Na1  1  0.52  0.39  0.39  1.0
  Mn  Mn2  1  0.0  0.97  0.97  1.0
  Cd  Cd3  1  0.0  0.83  0.42  1.0

Na Na Mn Cd