data_[Sm12Ge6S4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  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 [18.1714]
_cell_length_b [4.1961]
_cell_length_c [8.3663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Ge3S2Br]
_chemical_formula_sum '[Sm12 Ge6 S4 Br2]'
_cell_volume [622.7348]
_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  0.0014  0.0000  0.2691  1.0
  Sm  Sm1  4  0.1668  0.5000  0.5849  1.0
  Sm  Sm2  4  0.1745  0.5000  0.0870  1.0
  Ge  Ge3  4  0.1634  0.0000  0.8335  1.0
  Ge  Ge4  2  0.0000  0.5000  0.5000  1.0
  S  S5  4  0.1676  0.0000  0.3337  1.0
  Br  Br6  2  0.0000  0.5000  0.0000  1.0
]