data_[Sm4C2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7104]
_cell_length_b [3.8722]
_cell_length_c [11.0183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6912]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2CBr2]
_chemical_formula_sum '[Sm4 C2 Br4]'
_cell_volume [284.8932]
_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  0.1873  0.0000  0.6266  1.0
  C  C1  2  0.0000  0.5000  0.5000  1.0
  Br  Br2  4  0.1168  0.0000  0.1945  1.0
]