data_[Sm2I1Br1O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9802]
_cell_length_b [3.9802]
_cell_length_c [8.5730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Sm2IBrO2]
_chemical_formula_sum '[Sm2 I1 Br1 O2]'
_cell_volume [135.8147]
_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
[
  Sm  Sm0  1  0.0000  0.0000  0.8699  1
  Sm  Sm1  1  0.5000  0.5000  0.1426  1
  I  I2  1  0.5000  0.5000  0.6465  1
  Br  Br3  1  0.0000  0.0000  0.3301  1
  O  O4  2  0.0000  0.5000  0.0054  1
]