data_[Te10Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.8145]
_cell_length_b [19.7896]
_cell_length_c [17.9185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Te5Se9]
_chemical_formula_sum '[Te10 Se18]'
_cell_volume [4544.0063]
_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
[
  Te  Te0  4  0.2439  0.2872  0.5342  1
  Te  Te1  4  0.4744  0.1442  0.4653  1
  Te  Te2  2  0.3302  0.0000  0.5801  1
  Se  Se3  4  0.0352  0.2278  0.4729  1
  Se  Se4  4  0.1543  0.4027  0.5143  1
  Se  Se5  4  0.3598  0.1429  0.5801  1
  Se  Se6  4  0.3607  0.2872  0.4173  1
  Se  Se7  2  0.4131  0.0000  0.4519  1
]