data_[Sb10Se2]
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 [Cm]
_cell_length_a [14.5150]
_cell_length_b [4.2939]
_cell_length_c [6.2144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5629]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sb5Se]
_chemical_formula_sum '[Sb10 Se2]'
_cell_volume [352.2713]
_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  0.1362  0.5000  0.6443  1.0
  Sb  Sb1  2  0.1382  0.5000  0.1756  1.0
  Sb  Sb2  2  0.3025  0.0000  0.8399  1.0
  Sb  Sb3  2  0.4691  0.5000  0.5143  1.0
  Sb  Sb4  2  0.4781  0.5000  0.9925  1.0
  Se  Se5  2  0.3091  0.0000  0.3334  1.0
]