data_[Sm2In4Br16]
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 [14.5282]
_cell_length_b [9.1401]
_cell_length_c [7.1717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3240]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(InBr4)2]
_chemical_formula_sum '[Sm2 In4 Br16]'
_cell_volume [942.2917]
_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  0.0000  0.0000  0.0000  1
  In  In1  4  0.1860  0.0000  0.6388  1
  Br  Br2  8  0.0838  0.2107  0.7757  1
  Br  Br3  4  0.1422  0.5000  0.2343  1
  Br  Br4  4  0.1732  0.0000  0.2579  1
]