data_[Sm12Os4S2Br6]
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
  S  2.5800  1.0000  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1552]
_cell_length_b [12.3923]
_cell_length_c [7.9522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Os2SBr3]
_chemical_formula_sum '[Sm12 Os4 S2 Br6]'
_cell_volume [672.7633]
_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  8  0.2385  0.1738  0.1964  1.0
  Sm  Sm1  4  0.2169  0.5000  0.1955  1.0
  Os  Os2  4  0.0000  0.3329  0.0000  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1636  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]