data_[Y12Sn4Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [12.0973]
_cell_length_b [15.0468]
_cell_length_c [7.4838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y3SnTe6]
_chemical_formula_sum '[Y12 Sn4 Te24]'
_cell_volume [1362.2418]
_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
[
  Y  Y0  8  0.1841  0.0968  0.4818  1
  Y  Y1  4  0.0000  0.4076  0.3798  1
  Sn  Sn2  4  0.0000  0.2038  0.0169  1
  Te  Te3  8  0.1632  0.4628  0.6776  1
  Te  Te4  8  0.1807  0.2743  0.2304  1
  Te  Te5  4  0.0000  0.0279  0.1921  1
  Te  Te6  4  0.0000  0.2230  0.6170  1
]