data_[Te1Se2]
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 [P1]
_cell_length_a [4.1539]
_cell_length_b [5.2565]
_cell_length_c [5.9797]
_cell_angle_alpha [112.2653]
_cell_angle_beta [108.4758]
_cell_angle_gamma [91.4850]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TeSe2]
_chemical_formula_sum '[Te1 Se2]'
_cell_volume [113.0055]
_cell_formula_units_Z [1]
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  1  0.6875  0.4523  0.4887  1.0
  Se  Se1  1  0.3959  0.8736  0.6748  1.0
  Se  Se2  1  0.8496  0.2784  0.8503  1.0
]