data_[Rb6Pr4Sm2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5898]
_cell_length_b [13.1457]
_cell_length_c [8.4180]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4963]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Pr2SmSe6]
_chemical_formula_sum '[Rb6 Pr4 Sm2 Se12]'
_cell_volume [801.0334]
_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  4  0.0000  0.1675  0.5000  1.0
  Rb  Rb1  2  0.0000  0.5000  0.5000  1.0
  Pr  Pr2  4  0.0000  0.3334  0.0000  1.0
  Sm  Sm3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2314  0.1644  0.2011  1.0
  Se  Se5  4  0.2384  0.5000  0.2013  1.0
]