data_[Sm4Si4Se12]
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 [6.8782]
_cell_length_b [7.7184]
_cell_length_c [11.5350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SmSiSe3]
_chemical_formula_sum '[Sm4 Si4 Se12]'
_cell_volume [507.9362]
_cell_formula_units_Z [4]
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  0.2889  0.1262  0.7486  1.0
  Si  Si1  4  0.3569  0.6003  0.9343  1.0
  Se  Se2  4  0.0821  0.0230  0.2261  1.0
  Se  Se3  4  0.2154  0.6892  0.0627  1.0
  Se  Se4  4  0.4218  0.1780  0.0679  1.0
]