data_[Rb1Sm1Ge2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [6.7359]
_cell_length_b [7.3961]
_cell_length_c [9.8773]
_cell_angle_alpha [92.9799]
_cell_angle_beta [90.6101]
_cell_angle_gamma [95.6246]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbSm(GeBr4)2]
_chemical_formula_sum '[Rb1 Sm1 Ge2 Br8]'
_cell_volume [488.9892]
_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
[
  Rb  Rb0  1  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  1  0.0000  0.0000  0.0000  1.0
  Ge  Ge2  2  0.4460  0.5554  0.7818  1.0
  Br  Br3  2  0.2274  0.1838  0.7991  1.0
  Br  Br4  2  0.2310  0.6838  0.9746  1.0
  Br  Br5  2  0.2608  0.6285  0.5807  1.0
  Br  Br6  2  0.2729  0.1381  0.2174  1.0
]