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/m]
_cell_length_a [5.2877]
_cell_length_b [4.2902]
_cell_length_c [7.4606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sb2Se]
_chemical_formula_sum '[Sb4 Se2]'
_cell_volume [169.1590]
_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  0.1470  0.5000  0.3284  1
  Sb  Sb1  1  0.5000  0.0000  0.5000  1
  Sb  Sb2  1  0.5000  0.5000  0.0000  1
  Se  Se3  2  0.2055  0.0000  0.8221  1
]