data_[Rb2Nd4Sm6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  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 [18.8955]
_cell_length_b [4.1865]
_cell_length_c [8.7322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbNd2(SmSe2)3]
_chemical_formula_sum '[Rb2 Nd4 Sm6 Se12]'
_cell_volume [667.7932]
_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  0.0000  0.5000  0.0000  1.0
  Nd  Nd1  4  0.1731  0.0000  0.3460  1.0
  Sm  Sm2  4  0.1655  0.0000  0.8275  1.0
  Sm  Sm3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0013  0.0000  0.2735  1.0
  Se  Se5  4  0.1626  0.5000  0.5870  1.0
  Se  Se6  4  0.1742  0.5000  0.0835  1.0
]