data_FeCuMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   4.34
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   96.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuMo2
_chemical_formula_sum   'Fe1 Cu1 Mo2'
_cell_volume   55.36
_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
  Fe  Fe1  1  0.42  0.0  0.74  1.0
  Cu  Cu0  1  0.75  0.17  0.43  1.0
  Mo  Mo2  1  0.04  0.17  0.81  1.0
  Mo  Mo3  1  0.87  0.0  0.33  1.0

data_FeCuMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.34
_cell_length_c   4.95
_cell_angle_alpha   90.0
_cell_angle_beta   96.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuMo2
_chemical_formula_sum   'Fe1 Cu1 Mo2'
_cell_volume   55.36
_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
  Fe  Fe0  1  0.42  0.0  0.74  1.0
  Cu  Cu1  1  0.75  0.17  0.43  1.0
  Mo  Mo2  1  0.04  0.17  0.81  1.0
  Mo  Mo3  1  0.87  0.0  0.33  1.0

Fe Cu Mo Mo