data_Na2CdMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   122.61
_cell_angle_beta   122.61
_cell_angle_gamma   85.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdMo
_chemical_formula_sum   'Na2 Cd1 Mo1'
_cell_volume   93.64
_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  0.9  1.0
  Na  Na3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.48  0.0  0.9  1.0
  Mo  Mo1  1  0.0  0.0  0.8  1.0

data_Na2CdMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.17
_cell_angle_alpha   118.69
_cell_angle_beta   118.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2CdMo
_chemical_formula_sum   'Na2 Cd1 Mo1'
_cell_volume   93.64
_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
  Na  Na1  1  0.42  0.9  0.42  1.0
  Cd  Cd2  1  0.9  0.42  0.42  1.0
  Mo  Mo3  1  0.8  0.8  0.8  1.0

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