data_[Sn10Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [11.7635]
_cell_length_b [11.7635]
_cell_length_c [21.2909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [SnSe]
_chemical_formula_sum '[Sn10 Se10]'
_cell_volume [2551.4996]
_cell_formula_units_Z [10]
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
[
  Sn  Sn0  6  0.1548  0.6189  0.5002  1
  Sn  Sn1  3  0.0000  0.2728  0.4845  1
  Sn  Sn2  1  0.0000  0.0000  0.3981  1
  Se  Se3  6  0.1771  0.4447  0.5793  1
  Se  Se4  3  0.0000  0.8087  0.4625  1
  Se  Se5  1  0.0000  0.0000  0.2838  1
]