data_[Rb1Ba2Sm1Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Sm  1.1700  1.8500  1.2290
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1572]
_cell_length_b [9.7701]
_cell_length_c [7.1338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7345]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbBa2SmCl8]
_chemical_formula_sum '[Rb1 Ba2 Sm1 Cl8]'
_cell_volume [428.6520]
_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  0.5000  0.0000  1.0
  Ba  Ba1  2  0.5000  0.2497  0.5000  1.0
  Sm  Sm2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1041  0.2062  0.7618  1.0
  Cl  Cl4  2  0.3768  0.0000  0.2255  1.0
  Cl  Cl5  2  0.4407  0.5000  0.2524  1.0
]