data_[Sm4Os4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2334]
_cell_length_b [4.2058]
_cell_length_c [11.5594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.0072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmOsBr]
_chemical_formula_sum '[Sm4 Os4 Br4]'
_cell_volume [351.4525]
_cell_formula_units_Z [4]
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  0.0111  0.0000  0.6800  1.0
  Os  Os1  4  0.1668  0.5000  0.4851  1.0
  Br  Br2  4  0.1825  0.5000  0.8413  1.0
]