data_Y2MnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnFe
_chemical_formula_sum   'Y2 Mn1 Fe1'
_cell_volume   80.49
_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  Y2  1  0.06  0.0  0.57  1.0
  Y  Y3  1  0.0  0.0  0.58  1.0
  Mn  Mn1  1  0.0  0.0  0.62  1.0
  Fe  Fe0  1  0.06  0.0  0.54  1.0

data_Y2MnFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnFe
_chemical_formula_sum   'Y2 Mn1 Fe1'
_cell_volume   80.49
_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  0.58  1.0
  Y  Y1  1  0.06  0.0  0.57  1.0
  Mn  Mn2  1  0.0  0.0  0.62  1.0
  Fe  Fe3  1  0.06  0.0  0.54  1.0

Y Y Mn Fe
Y Y Mn Fe 0 1 o o o 0 3 o o o 1 2 o o o 