data_Na2CdMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.5
_cell_angle_alpha   99.21
_cell_angle_beta   99.21
_cell_angle_gamma   26.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdMo
_chemical_formula_sum   'Na2 Cd1 Mo1'
_cell_volume   84.03
_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  0.16  0.0  0.1  1.0
  Na  Na3  1  0.39  0.0  0.32  1.0
  Cd  Cd0  1  0.28  0.0  0.71  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_Na2CdMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   5.5
_cell_length_c   5.89
_cell_angle_alpha   99.21
_cell_angle_beta   103.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdMo
_chemical_formula_sum   'Na2 Cd1 Mo1'
_cell_volume   84.03
_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  0.1  0.16  1.0
  Na  Na1  1  0.0  0.32  0.39  1.0
  Cd  Cd2  1  0.0  0.71  0.28  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Na Na Cd Mo
Na Na Cd Mo 0 3 o o o 0 1 o o o 0 2 o o - 1 2 o o o 2 3 o o + 2 2 + - o 