data_[K1Sm1Ge2Br8]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7208]
_cell_length_b [7.2905]
_cell_length_c [9.2699]
_cell_angle_alpha [86.1442]
_cell_angle_beta [88.2498]
_cell_angle_gamma [85.8938]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSm(GeBr4)2]
_chemical_formula_sum '[K1 Sm1 Ge2 Br8]'
_cell_volume [451.8620]
_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
[
  K  K0  1  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4581  0.4559  0.7523  1.0
  Br  Br3  2  0.2322  0.8184  0.7831  1.0
  Br  Br4  2  0.2385  0.3222  0.9673  1.0
  Br  Br5  2  0.2666  0.8558  0.2246  1.0
  Br  Br6  2  0.2719  0.3612  0.5469  1.0
]