data_[Sm4In2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7599]
_cell_length_b [9.2711]
_cell_length_c [7.3768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2InBr8]
_chemical_formula_sum '[Sm4 In2 Br16]'
_cell_volume [780.3814]
_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  4  0.1815  0.5000  0.4512  1
  In  In1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1409  0.1915  0.3111  1
  Br  Br3  4  0.0625  0.5000  0.7520  1
  Br  Br4  4  0.1889  0.0000  0.8285  1
]