data_NaCd2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   128.68
_cell_angle_beta   128.68
_cell_angle_gamma   75.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Si
_chemical_formula_sum   'Na1 Cd2 Si1'
_cell_volume   84.95
_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  0.0  0.0  1.0
  Cd  Cd0  1  0.0  0.27  0.07  1.0
  Cd  Cd1  1  0.27  0.0  0.07  1.0
  Si  Si3  1  0.0  0.0  0.14  1.0

data_NaCd2Si
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   5.23
_cell_angle_alpha   90.0
_cell_angle_beta   127.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaCd2Si
_chemical_formula_sum   'Na2 Cd4 Si2'
_cell_volume   169.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cd  Cd1  4  0.37  0.37  0.8  1.0
  Si  Si2  2  0.0  0.0  0.14  1.0

Na Cd Cd Si
Na Cd Cd Si 0 3 o o o 0 1 o o o 0 2 o o o 