data_[Rb1Sm1Mg2Cl8]
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
  Mg  1.3100  1.5000  0.8600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5831]
_cell_length_b [6.6517]
_cell_length_c [9.2198]
_cell_angle_alpha [76.1634]
_cell_angle_beta [77.4906]
_cell_angle_gamma [76.2913]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbSmMg2Cl8]
_chemical_formula_sum '[Rb1 Sm1 Mg2 Cl8]'
_cell_volume [375.3276]
_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
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.4616  0.4516  0.7075  1
  Cl  Cl3  2  0.1862  0.7229  0.2291  1
  Cl  Cl4  2  0.2374  0.7739  0.7891  1
  Cl  Cl5  2  0.2938  0.2412  0.9434  1
  Cl  Cl6  2  0.3676  0.3095  0.5200  1
]