data_[Sr6Sm2Fe4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sm  1.1700  1.8500  1.2290
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.4762]
_cell_length_b [5.4655]
_cell_length_c [12.6745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Sr3Sm(FeO4)2]
_chemical_formula_sum '[Sr6 Sm2 Fe4 O16]'
_cell_volume [379.3513]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.3549  1.0
  Sr  Sr1  2  0.0000  0.0000  0.6464  1.0
  Sr  Sr2  2  0.5000  0.0000  0.8544  1.0
  Sm  Sm3  2  0.5000  0.0000  0.1398  1.0
  Fe  Fe4  2  0.0000  0.0000  0.9976  1.0
  Fe  Fe5  2  0.5000  0.0000  0.5038  1.0
  O  O6  8  0.2596  0.2494  0.0044  1.0
  O  O7  2  0.0000  0.0000  0.1605  1.0
  O  O8  2  0.0000  0.0000  0.8424  1.0
  O  O9  2  0.5000  0.0000  0.3179  1.0
  O  O10  2  0.5000  0.0000  0.6647  1.0
]