data_[Rb2Sm2Hg2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2034]
_cell_length_b [4.3542]
_cell_length_c [10.4767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbSmHgSe3]
_chemical_formula_sum '[Rb2 Sm2 Hg2 Se6]'
_cell_volume [399.0336]
_cell_formula_units_Z [2]
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  2  0.2205  0.2500  0.2458  1.0
  Sm  Sm1  2  0.3265  0.7500  0.8637  1.0
  Hg  Hg2  2  0.0912  0.2500  0.6159  1.0
  Se  Se3  2  0.1053  0.2500  0.8707  1.0
  Se  Se4  2  0.2294  0.7500  0.5461  1.0
  Se  Se5  2  0.4652  0.7500  0.1499  1.0
]