data_[Sm4Si2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9099]
_cell_length_b [7.6241]
_cell_length_c [10.8347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2SiSe6]
_chemical_formula_sum '[Sm4 Si2 Se12]'
_cell_volume [454.2651]
_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
[
  Sm  Sm0  4  0.2188  0.6090  0.2483  1
  Si  Si1  2  0.5000  0.0000  0.5000  1
  Se  Se2  4  0.1404  0.6701  0.9399  1
  Se  Se3  4  0.2750  0.2114  0.9430  1
  Se  Se4  4  0.3770  0.5343  0.7417  1
]