data_Sr3Sm(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   6.9
_cell_length_c   6.9
_cell_angle_alpha   46.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Sm(FeO4)2
_chemical_formula_sum   'Sr3 Sm1 Fe2 O8'
_cell_volume   189.68
_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
  Sr  Sr0  1  0.0  0.0  0.48  1.0
  Sr  Sr1  1  0.0  0.0  0.18  1.0
  Sr  Sr2  1  0.74  0.0  0.85  1.0
  Sm  Sm3  1  0.74  0.0  0.9  1.0
  Fe  Fe4  1  0.74  0.0  0.29  1.0
  Fe  Fe5  1  0.0  0.0  0.03  1.0
  O  O6  1  0.0  0.0  1.0  1.0
  O  O7  1  0.74  0.0  0.65  1.0
  O  O8  1  0.74  0.0  0.25  1.0
  O  O9  1  0.0  0.0  0.64  1.0
  O  O10  1  0.42  0.63  0.28  1.0
  O  O11  1  0.05  0.37  0.28  1.0
  O  O12  1  0.42  0.37  0.28  1.0
  O  O13  1  0.05  0.63  0.28  1.0

data_Sr3Sm(FeO4)2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.47
_cell_length_b   5.48
_cell_length_c   6.9
_cell_angle_alpha   90.0
_cell_angle_beta   113.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Sm(FeO4)2
_chemical_formula_sum   'Sr3 Sm1 Fe2 O8'
_cell_volume   189.68
_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
  Sr  Sr0  1  0.15  0.74  0.15  1.0
  Sr  Sr1  1  0.52  0.0  0.52  1.0
  Sr  Sr2  1  0.82  0.0  0.82  1.0
  Sm  Sm3  1  0.1  0.74  0.1  1.0
  Fe  Fe4  1  0.71  0.74  0.71  1.0
  Fe  Fe5  1  0.97  0.0  0.97  1.0
  O  O6  1  0.0  0.0  0.0  1.0
  O  O7  1  0.35  0.74  0.35  1.0
  O  O8  1  0.36  0.0  0.36  1.0
  O  O9  1  0.72  0.05  0.35  1.0
  O  O10  1  0.72  0.42  0.35  1.0
  O  O11  1  0.72  0.05  0.09  1.0
  O  O12  1  0.72  0.42  0.09  1.0
  O  O13  1  0.75  0.74  0.75  1.0

Sr Sr Sr Sm Fe Fe O O O O O O O O
Sr Sr Sr Sm Fe Fe O O O O O O O O 0 9 o o o 0 11 o o o 1 5 o o o 1 13 o - o 2 3 o o o 2 7 o o o 4 8 o o o 5 6 o o - 5 13 o - o 6 13 o - + 7 9 + o o 9 11 o o o 10 13 o o o 10 12 o o o 11 13 o o o 11 12 o o o 