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 [12.1191]
_cell_length_b [15.0692]
_cell_length_c [7.5009]
_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 [1369.8540]
_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  0.1839  0.0968  0.9817  1.0
  Y  Y1  4  0.0000  0.4078  0.8798  1.0
  Sn  Sn2  4  0.0000  0.2037  0.5172  1.0
  Te  Te3  8  0.1632  0.4628  0.1776  1.0
  Te  Te4  8  0.1806  0.2743  0.7304  1.0
  Te  Te5  4  0.0000  0.0281  0.6920  1.0
  Te  Te6  4  0.0000  0.2229  0.1169  1.0
]