data_[Rb2Sm2Ge2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9537]
_cell_length_b [4.1307]
_cell_length_c [11.4123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3601]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbSmGeSe3]
_chemical_formula_sum '[Rb2 Sm2 Ge2 Se6]'
_cell_volume [398.2163]
_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  0.2403  0.2500  0.2821  1.0
  Sm  Sm1  2  0.3585  0.7500  0.8446  1.0
  Ge  Ge2  2  0.1260  0.2500  0.5615  1.0
  Se  Se3  2  0.1063  0.2500  0.7736  1.0
  Se  Se4  2  0.3223  0.7500  0.5769  1.0
  Se  Se5  2  0.4010  0.7500  0.1080  1.0
]