data_[K2Sm2Cu2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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]
_cell_length_a [7.6340]
_cell_length_b [11.6227]
_cell_length_c [7.4342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [KSmCuBr6]
_chemical_formula_sum '[K2 Sm2 Cu2 Br12]'
_cell_volume [655.2626]
_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
[
  K  K0  2  0.0000  0.0210  0.0000  1.0
  Sm  Sm1  2  0.0000  0.6848  0.5000  1.0
  Cu  Cu2  2  0.0000  0.3324  0.5000  1.0
  Br  Br3  4  0.1153  0.4823  0.7158  1.0
  Br  Br4  4  0.1764  0.1844  0.6757  1.0
  Br  Br5  4  0.1850  0.8152  0.7688  1.0
]