data_[Sm12Y4Te4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2089]
_cell_length_b [5.9129]
_cell_length_c [9.3137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3YTe]
_chemical_formula_sum '[Sm12 Y4 Te4]'
_cell_volume [667.8377]
_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  0.0556  0.0000  0.8454  1
  Sm  Sm1  4  0.1320  0.5000  0.1294  1
  Sm  Sm2  4  0.1401  0.0000  0.4567  1
  Y  Y3  4  0.0743  0.5000  0.6579  1
  Te  Te4  4  0.2137  0.0000  0.1356  1
]