data_[Sm10As8Br2]
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 [Immm]
_cell_length_a [4.2230]
_cell_length_b [5.9498]
_cell_length_c [21.1991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sm5As4Br]
_chemical_formula_sum '[Sm10 As8 Br2]'
_cell_volume [532.6465]
_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  0.0000  0.5000  0.1990  1
  Sm  Sm1  4  0.0000  0.5000  0.3881  1
  Sm  Sm2  2  0.0000  0.5000  0.0000  1
  As  As3  4  0.0000  0.0000  0.2021  1
  As  As4  4  0.0000  0.0000  0.4022  1
  Br  Br5  2  0.0000  0.0000  0.0000  1
]