data_Sm2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   120.56
_cell_angle_beta   120.56
_cell_angle_gamma   89.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2FeO4
_chemical_formula_sum   'Sm4 Fe2 O8'
_cell_volume   216.5
_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
  Sm  Sm10  1  0.0  0.68  0.02  1.0
  Sm  Sm11  1  0.68  0.0  0.61  1.0
  Sm  Sm12  1  0.35  0.68  0.2  1.0
  Sm  Sm13  1  0.68  0.35  0.8  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.35  0.41  1.0
  O  O2  1  0.0  0.63  0.69  1.0
  O  O3  1  0.63  0.0  0.95  1.0
  O  O4  1  0.72  0.35  0.13  1.0
  O  O5  1  0.35  0.63  0.54  1.0
  O  O6  1  0.35  0.72  0.87  1.0
  O  O7  1  0.72  0.0  0.28  1.0
  O  O8  1  0.98  0.0  0.28  1.0
  O  O9  1  0.35  0.37  0.54  1.0

data_Sm2FeO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   6.76
_cell_angle_alpha   119.72
_cell_angle_beta   119.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sm2FeO4
_chemical_formula_sum   'Sm4 Fe2 O8'
_cell_volume   216.5
_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
  Sm  Sm0  1  0.35  0.02  0.35  1.0
  Sm  Sm1  1  0.44  0.12  0.77  1.0
  Sm  Sm2  1  0.53  0.85  0.18  1.0
  Sm  Sm3  1  0.61  0.94  0.94  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.06  0.41  0.06  1.0
  O  O6  1  0.06  0.69  0.06  1.0
  O  O7  1  0.15  0.52  0.8  1.0
  O  O8  1  0.17  0.19  0.82  1.0
  O  O9  1  0.28  0.56  0.56  1.0
  O  O10  1  0.28  0.29  0.29  1.0
  O  O11  1  0.78  0.41  0.06  1.0
  O  O12  1  0.91  0.19  0.56  1.0
  O  O13  1  0.95  0.32  0.32  1.0

Sm Sm Sm Sm Fe Fe O O O O O O O O