data_[Rb1Sm1Hg2Cl8]
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
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7890]
_cell_length_b [6.8973]
_cell_length_c [9.3180]
_cell_angle_alpha [71.7874]
_cell_angle_beta [80.2934]
_cell_angle_gamma [85.2518]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbSm(HgCl4)2]
_chemical_formula_sum '[Rb1 Sm1 Hg2 Cl8]'
_cell_volume [408.3205]
_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
  Hg  Hg2  2  0.4740  0.4687  0.7296  1.0
  Cl  Cl3  2  0.1357  0.7352  0.2474  1.0
  Cl  Cl4  2  0.1943  0.7996  0.8134  1.0
  Cl  Cl5  2  0.3329  0.2378  0.9698  1.0
  Cl  Cl6  2  0.4076  0.2664  0.4963  1.0
]