data_[Sm21As3Br36]
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 [R-3]
_cell_length_a [15.1420]
_cell_length_b [15.1420]
_cell_length_c [10.0260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Sm7AsBr12]
_chemical_formula_sum '[Sm21 As3 Br36]'
_cell_volume [1990.7887]
_cell_formula_units_Z [3]
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  18  0.0464  0.1680  0.8444  1
  Sm  Sm1  3  0.0000  0.0000  0.5000  1
  As  As2  3  0.0000  0.0000  0.0000  1
  Br  Br3  18  0.0242  0.5868  0.6641  1
  Br  Br4  18  0.0495  0.1799  0.3395  1
]