data_[Sm3C2Br2]
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 [P-1]
_cell_length_a [3.6803]
_cell_length_b [6.3610]
_cell_length_c [7.6413]
_cell_angle_alpha [99.0928]
_cell_angle_beta [91.3397]
_cell_angle_gamma [103.6047]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm3(CBr)2]
_chemical_formula_sum '[Sm3 C2 Br2]'
_cell_volume [171.3376]
_cell_formula_units_Z [1]
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  2  0.2142  0.4508  0.7934  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  C  C2  2  0.3625  0.7248  0.0590  1
  Br  Br3  2  0.1555  0.2411  0.3781  1
]