data_UMnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   119.94
_cell_angle_beta   119.03
_cell_angle_gamma   90.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UMnFe
_chemical_formula_sum   'U2 Mn2 Fe2'
_cell_volume   86.78
_cell_formula_units_Z   2
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
  U  U0  1  0.0  0.26  0.34  1.0
  U  U1  1  0.48  0.26  0.14  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.51  0.0  1.0
  Fe  Fe4  1  0.76  0.26  0.74  1.0
  Fe  Fe5  1  0.24  0.26  0.74  1.0

data_UMnFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   90.9
_cell_angle_beta   119.03
_cell_angle_gamma   119.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UMnFe
_chemical_formula_sum   'U2 Mn2 Fe2'
_cell_volume   86.78
_cell_formula_units_Z   2
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
  U  U0  1  0.14  0.66  0.88  1.0
  U  U1  1  0.34  0.34  0.08  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Mn  Mn3  1  0.0  0.0  0.49  1.0
  Fe  Fe4  1  0.74  0.5  0.48  1.0
  Fe  Fe5  1  0.74  0.98  0.48  1.0

U U Mn Mn Fe Fe
U U Mn Mn Fe Fe 0 2 o o o 0 5 o o o 1 5 o o - 3 4 - o - 