data_[Sr2Nd4Sm6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [18.4493]
_cell_length_b [4.2088]
_cell_length_c [8.5169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrNd2(SmSe2)3]
_chemical_formula_sum '[Sr2 Nd4 Sm6 Se12]'
_cell_volume [643.0453]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0000  1
  Nd  Nd1  4  0.1710  0.0000  0.3425  1
  Sm  Sm2  4  0.1672  0.0000  0.8260  1
  Sm  Sm3  2  0.0000  0.5000  0.5000  1
  Se  Se4  4  0.0004  0.0000  0.2570  1
  Se  Se5  4  0.1634  0.5000  0.5854  1
  Se  Se6  4  0.1689  0.5000  0.0799  1
]