data_Cd2MoAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   127.07
_cell_angle_beta   127.07
_cell_angle_gamma   78.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2MoAu
_chemical_formula_sum   'Cd2 Mo1 Au1'
_cell_volume   76.22
_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  Cd1  1  0.0  0.0  0.87  1.0
  Cd  Cd2  1  0.0  0.22  0.93  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.22  0.0  0.93  1.0

data_Cd2MoAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.98
_cell_angle_alpha   116.46
_cell_angle_beta   116.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2MoAu
_chemical_formula_sum   'Cd2 Mo1 Au1'
_cell_volume   76.22
_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  0.13  0.0  0.13  1.0
  Cd  Cd1  1  0.29  0.22  0.29  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.07  0.0  0.29  1.0

Cd Cd Mo Au