data_CdCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   4.31
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   99.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCoMo2
_chemical_formula_sum   'Cd1 Co1 Mo2'
_cell_volume   63.31
_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
  Cd  Cd0  1  0.66  0.15  0.73  1.0
  Co  Co1  1  0.08  0.0  0.26  1.0
  Mo  Mo2  1  0.8  0.15  0.33  1.0
  Mo  Mo3  1  0.95  0.0  0.23  1.0

data_CdCoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.31
_cell_length_c   5.5
_cell_angle_alpha   90.0
_cell_angle_beta   99.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCoMo2
_chemical_formula_sum   'Cd1 Co1 Mo2'
_cell_volume   63.31
_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
  Cd  Cd0  1  0.66  0.15  0.73  1.0
  Co  Co1  1  0.08  0.0  0.26  1.0
  Mo  Mo2  1  0.8  0.15  0.33  1.0
  Mo  Mo3  1  0.95  0.0  0.23  1.0

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