data_YFe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.56
_cell_angle_alpha   112.07
_cell_angle_beta   112.07
_cell_angle_gamma   56.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Mo
_chemical_formula_sum   'Y1 Fe2 Mo1'
_cell_volume   70.44
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.81  0.0  0.02  1.0
  Fe  Fe1  1  0.04  0.0  0.01  1.0
  Mo  Mo2  1  0.43  0.0  0.51  1.0

data_YFe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.1
_cell_length_c   5.53
_cell_angle_alpha   68.67
_cell_angle_beta   69.5
_cell_angle_gamma   61.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YFe2Mo
_chemical_formula_sum   'Y1 Fe2 Mo1'
_cell_volume   70.44
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.03  0.01  1.0
  Fe  Fe2  1  0.0  0.8  0.02  1.0
  Mo  Mo3  1  0.0  0.91  0.51  1.0

Y Fe Fe Mo