data_[Cs1Sm1Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2698]
_cell_length_b [7.8494]
_cell_length_c [11.0944]
_cell_angle_alpha [94.4200]
_cell_angle_beta [91.1193]
_cell_angle_gamma [96.1111]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSm(GeI4)2]
_chemical_formula_sum '[Cs1 Sm1 Ge2 I8]'
_cell_volume [627.3705]
_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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4365  0.5453  0.8020  1.0
  I  I3  2  0.2326  0.6822  0.9912  1.0
  I  I4  2  0.2401  0.1675  0.8084  1.0
  I  I5  2  0.2480  0.6018  0.6026  1.0
  I  I6  2  0.2647  0.1600  0.2127  1.0
]