data_[K1Sm1Ge2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.3740]
_cell_length_b [6.8788]
_cell_length_c [9.0056]
_cell_angle_alpha [86.9670]
_cell_angle_beta [88.9757]
_cell_angle_gamma [86.0275]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KSm(GeCl4)2]
_chemical_formula_sum '[K1 Sm1 Ge2 Cl8]'
_cell_volume [393.3117]
_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  0.4614  0.4565  0.7592  1.0
  Cl  Cl3  2  0.2151  0.8094  0.7860  1.0
  Cl  Cl4  2  0.2450  0.3171  0.9610  1.0
  Cl  Cl5  2  0.2649  0.8595  0.2207  1.0
  Cl  Cl6  2  0.2774  0.3566  0.5630  1.0
]