data_NaMg2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.72
_cell_angle_alpha   99.85
_cell_angle_beta   99.85
_cell_angle_gamma   33.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Cd
_chemical_formula_sum   'Na1 Mg2 Cd1'
_cell_volume   97.32
_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  Na3  1  0.81  0.0  0.77  1.0
  Mg  Mg1  1  0.04  0.0  0.01  1.0
  Mg  Mg2  1  0.01  0.0  0.31  1.0
  Cd  Cd0  1  0.71  0.0  0.34  1.0

data_NaMg2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.6
_cell_length_c   5.72
_cell_angle_alpha   99.85
_cell_angle_beta   90.0
_cell_angle_gamma   106.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMg2Cd
_chemical_formula_sum   'Na1 Mg2 Cd1'
_cell_volume   97.32
_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  0.19  0.23  1.0
  Mg  Mg1  1  0.0  0.96  0.99  1.0
  Mg  Mg2  1  0.0  0.99  0.69  1.0
  Cd  Cd3  1  0.0  0.29  0.66  1.0

Na Mg Mg Cd