data_[Te2Se4]
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 [4.1421]
_cell_length_b [5.3079]
_cell_length_c [9.4585]
_cell_angle_alpha [105.2070]
_cell_angle_beta [102.1008]
_cell_angle_gamma [89.9913]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TeSe2]
_chemical_formula_sum '[Te2 Se4]'
_cell_volume [195.8800]
_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  1  0.5664  0.4663  0.4657  1.0
  Te  Te1  1  0.8549  0.2180  0.0216  1.0
  Se  Se2  1  0.0241  0.8605  0.5667  1.0
  Se  Se3  1  0.2156  0.8237  0.9205  1.0
  Se  Se4  1  0.3192  0.6083  0.1234  1.0
  Se  Se5  1  0.9337  0.0760  0.3639  1.0
]