data_[Sm4Si1Sb1Se2]
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
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3829]
_cell_length_b [4.2760]
_cell_length_c [7.4465]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4SiSbSe2]
_chemical_formula_sum '[Sm4 Si1 Sb1 Se2]'
_cell_volume [221.6229]
_cell_formula_units_Z [1]
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  2  0.2420  0.5000  0.2363  1.0
  Sm  Sm1  2  0.2489  0.0000  0.7630  1.0
  Si  Si2  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  1  0.5000  0.0000  0.5000  1.0
  Se  Se5  1  0.5000  0.5000  0.0000  1.0
]