data_[Sb4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [4.1869]
_cell_length_b [6.0554]
_cell_length_c [7.2293]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1084]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Sb2Se]
_chemical_formula_sum '[Sb4 Se2]'
_cell_volume [176.0897]
_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  0.1629  0.3569  0.3260  1.0
  Sb  Sb1  1  0.5000  0.3102  0.0000  1.0
  Sb  Sb2  1  0.5000  0.8189  0.0000  1.0
  Se  Se3  2  0.1400  0.8087  0.2895  1.0
]