data_[Sm4Ni1C1Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0385]
_cell_length_b [3.8177]
_cell_length_c [7.6848]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4NiCBr2]
_chemical_formula_sum '[Sm4 Ni1 C1 Br2]'
_cell_volume [197.4835]
_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  0.2394  0.5000  0.1876  1
  Sm  Sm1  2  0.2933  0.0000  0.8134  1
  Ni  Ni2  1  0.0000  0.0000  0.0000  1
  C  C3  1  0.5000  0.5000  0.0000  1
  Br  Br4  1  0.0000  0.5000  0.5000  1
  Br  Br5  1  0.5000  0.0000  0.5000  1
]