data_[Y2Sn6Te12]
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 [P2_1/m]
_cell_length_a [12.7361]
_cell_length_b [4.2768]
_cell_length_c [13.0957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y(SnTe2)3]
_chemical_formula_sum '[Y2 Sn6 Te12]'
_cell_volume [658.6630]
_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
[
  Y  Y0  2  0.2942  0.2500  0.9501  1.0
  Sn  Sn1  2  0.1133  0.7500  0.1630  1.0
  Sn  Sn2  2  0.1546  0.2500  0.5419  1.0
  Sn  Sn3  2  0.4517  0.7500  0.7074  1.0
  Te  Te4  2  0.0541  0.7500  0.3745  1.0
  Te  Te5  2  0.1003  0.7500  0.9293  1.0
  Te  Te6  2  0.2432  0.7500  0.7575  1.0
  Te  Te7  2  0.2869  0.2500  0.1976  1.0
  Te  Te8  2  0.3869  0.2500  0.5330  1.0
  Te  Te9  2  0.4750  0.7500  0.0961  1.0
]