data_[Sm2Br1Cl1O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.9355]
_cell_length_b [3.9355]
_cell_length_c [7.7321]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Sm2BrClO2]
_chemical_formula_sum '[Sm2 Br1 Cl1 O2]'
_cell_volume [119.7551]
_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  0.8408  1
  Sm  Sm1  1  0.5000  0.5000  0.1461  1
  Br  Br2  1  0.0000  0.0000  0.3572  1
  Cl  Cl3  1  0.5000  0.5000  0.6644  1
  O  O4  2  0.0000  0.5000  0.9957  1
]