data_CdFeMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   3.81
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   93.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeMo2
_chemical_formula_sum   'Cd1 Fe1 Mo2'
_cell_volume   61.93
_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  0.84  0.0  0.93  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.23  0.91  0.22  1.0
  Mo  Mo3  1  0.21  0.91  0.65  1.0

data_CdFeMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.81
_cell_length_c   5.87
_cell_angle_alpha   90.0
_cell_angle_beta   93.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdFeMo2
_chemical_formula_sum   'Cd1 Fe1 Mo2'
_cell_volume   61.93
_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  0.84  0.0  0.93  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.21  0.91  0.65  1.0
  Mo  Mo3  1  0.23  0.91  0.22  1.0

Cd Fe Mo Mo