data_[Sm2Bi2Br2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Bi  2.0200  1.6000  1.0350
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0478]
_cell_length_b [3.8386]
_cell_length_c [8.2628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7799]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmBiBrO2]
_chemical_formula_sum '[Sm2 Bi2 Br2 O4]'
_cell_volume [212.8605]
_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  2  0.3327  0.7500  0.0820  1
  Bi  Bi1  2  0.2970  0.7500  0.5622  1
  Br  Br2  2  0.0542  0.2500  0.8266  1
  O  O3  2  0.4390  0.7500  0.3674  1
  O  O4  2  0.4872  0.7500  0.8683  1
]