data_[Sb4Te2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.7886]
_cell_length_b [22.2656]
_cell_length_c [5.9288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sb2TeSe2]
_chemical_formula_sum '[Sb4 Te2 Se4]'
_cell_volume [764.1454]
_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
[
  Sb  Sb0  2  0.0431  0.3848  0.9983  1
  Sb  Sb1  2  0.4340  0.3613  0.5095  1
  Te  Te2  1  0.3075  0.5000  0.0035  1
  Te  Te3  1  0.4587  0.5000  0.5353  1
  Se  Se4  2  0.4525  0.3368  0.9657  1
  Se  Se5  2  0.9812  0.3713  0.5510  1
]