data_[Sm4Y4Te4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.6177]
_cell_length_b [5.6177]
_cell_length_c [15.8435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sm2Y2Te2Se3]
_chemical_formula_sum '[Sm4 Y4 Te4 Se6]'
_cell_volume [499.9893]
_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  0.0000  0.0000  0.1949  1
  Y  Y1  4  0.0000  0.5000  0.0000  1
  Te  Te2  4  0.0000  0.0000  0.3945  1
  Se  Se3  4  0.0000  0.5000  0.2500  1
  Se  Se4  2  0.0000  0.0000  0.0000  1
]