data_[Sm6Sb4Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.5481]
_cell_length_b [4.3676]
_cell_length_c [7.6386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6207]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3(SbBr)2]
_chemical_formula_sum '[Sm6 Sb4 Br4]'
_cell_volume [471.7145]
_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  0.2452  0.0000  0.7734  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Sb  Sb2  4  0.1120  0.5000  0.8483  1
  Br  Br3  4  0.1405  0.0000  0.3669  1
]