data_NaCd2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   124.91
_cell_angle_beta   124.91
_cell_angle_gamma   81.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Br
_chemical_formula_sum   'Na1 Cd2 Br1'
_cell_volume   116.5
_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  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.0  0.0  0.27  1.0
  Cd  Cd2  1  0.0  0.61  0.14  1.0
  Br  Br0  1  0.61  0.0  0.14  1.0

data_NaCd2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.65
_cell_angle_alpha   117.54
_cell_angle_beta   117.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCd2Br
_chemical_formula_sum   'Na1 Cd2 Br1'
_cell_volume   116.5
_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  0.0  0.0  1.0
  Cd  Cd1  1  0.48  0.61  0.48  1.0
  Cd  Cd2  1  0.73  0.0  0.73  1.0
  Br  Br3  1  0.86  0.0  0.48  1.0

Na Cd Cd Br