data_[Y4In6Sn2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Sn  1.9600  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2543]
_cell_length_b [4.4025]
_cell_length_c [9.3854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2In3SnTe6]
_chemical_formula_sum '[Y4 In6 Sn2 Te12]'
_cell_volume [806.0458]
_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  4  0.1680  0.0000  0.3356  1.0
  In  In1  4  0.1664  0.0000  0.8372  1.0
  In  In2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.0084  0.0000  0.2555  1.0
  Te  Te5  4  0.1651  0.5000  0.1037  1.0
  Te  Te6  4  0.1715  0.5000  0.5709  1.0
]