data_[Sm24As8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [I4_132]
_cell_length_a [11.8565]
_cell_length_b [11.8565]
_cell_length_c [11.8565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [214]
_chemical_formula_structural [Sm3AsBr3]
_chemical_formula_sum '[Sm24 As8 Br24]'
_cell_volume [1666.7540]
_cell_formula_units_Z [8]
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  24  0.1128  0.3628  0.1250  1
  As  As1  8  0.1250  0.1250  0.1250  1
  Br  Br2  24  0.1202  0.1298  0.6250  1
]