data_[Y12In2Te6Se4]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.8265]
_cell_length_b [4.1875]
_cell_length_c [8.7593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5262]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6InTe3Se2]
_chemical_formula_sum '[Y12 In2 Te6 Se4]'
_cell_volume [668.4712]
_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  0.0066  0.0000  0.2486  1
  Y  Y1  4  0.1645  0.5000  0.1019  1
  Y  Y2  4  0.1743  0.5000  0.5671  1
  In  In3  2  0.0000  0.5000  0.0000  1
  Te  Te4  4  0.1662  0.0000  0.8302  1
  Te  Te5  2  0.0000  0.5000  0.5000  1
  Se  Se6  4  0.1678  0.0000  0.3353  1
]