data_TaCdMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   4.58
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdMo2
_chemical_formula_sum   'Ta1 Cd1 Mo2'
_cell_volume   69.9
_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
  Ta  Ta3  1  0.81  0.29  0.66  1.0
  Cd  Cd0  1  0.7  0.0  0.16  1.0
  Mo  Mo1  1  0.7  0.29  0.13  1.0
  Mo  Mo2  1  0.85  0.0  0.34  1.0

data_TaCdMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.58
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   102.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCdMo2
_chemical_formula_sum   'Ta1 Cd1 Mo2'
_cell_volume   69.9
_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
  Ta  Ta0  1  0.81  0.29  0.66  1.0
  Cd  Cd1  1  0.7  0.0  0.16  1.0
  Mo  Mo2  1  0.7  0.29  0.13  1.0
  Mo  Mo3  1  0.85  0.0  0.34  1.0

Ta Cd Mo Mo
Ta Cd Mo Mo 0 1 o o o 0 2 o o o 0 2 o o + 0 0 + o o 0 3 o o o 1 3 o o o 1 2 o o o 