data_NbCdMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   127.96
_cell_angle_beta   127.96
_cell_angle_gamma   76.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdMo2
_chemical_formula_sum   'Nb1 Cd1 Mo2'
_cell_volume   69.26
_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
  Nb  Nb3  1  0.0  0.0  0.0  1.0
  Cd  Cd0  1  0.13  0.0  0.91  1.0
  Mo  Mo1  1  0.0  0.0  0.81  1.0
  Mo  Mo2  1  0.0  0.13  0.91  1.0

data_NbCdMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   4.86
_cell_angle_alpha   116.02
_cell_angle_beta   116.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCdMo2
_chemical_formula_sum   'Nb1 Cd1 Mo2'
_cell_volume   69.26
_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
  Nb  Nb0  1  0.0  0.0  0.0  1.0
  Cd  Cd1  1  0.91  0.77  0.77  1.0
  Mo  Mo2  1  0.77  0.91  0.77  1.0
  Mo  Mo3  1  0.81  0.81  0.81  1.0

Nb Cd Mo Mo
Nb Cd Mo Mo 0 3 o o - 0 2 o o - 0 1 o o - 1 2 o o o 2 3 o o o 