data_[Sm8Cu2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4345]
_cell_length_b [4.0161]
_cell_length_c [8.6757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6749]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4CuBr5]
_chemical_formula_sum '[Sm8 Cu2 Br10]'
_cell_volume [626.6531]
_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  0.0009  0.0000  0.2248  1.0
  Sm  Sm1  4  0.1534  0.5000  0.0778  1.0
  Cu  Cu2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1676  0.0000  0.3356  1.0
  Br  Br4  4  0.1728  0.0000  0.8281  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]