data_[Y18Te9Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1418]
_cell_length_b [4.1418]
_cell_length_c [62.8541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Y6Te3Se2]
_chemical_formula_sum '[Y18 Te9 Se6]'
_cell_volume [933.7650]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.0931  1
  Y  Y1  6  0.0000  0.0000  0.1891  1
  Y  Y2  6  0.0000  0.0000  0.3628  1
  Te  Te3  6  0.0000  0.0000  0.2721  1
  Te  Te4  3  0.0000  0.0000  0.0000  1
  Se  Se5  6  0.0000  0.0000  0.4514  1
]