data_[Sn2Sb2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9688]
_cell_length_b [4.1583]
_cell_length_c [11.3213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SnSbSe2]
_chemical_formula_sum '[Sn2 Sb2 Se4]'
_cell_volume [233.7232]
_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
[
  Sn  Sn0  2  0.2087  0.2500  0.5832  1
  Sb  Sb1  2  0.3200  0.2500  0.0685  1
  Se  Se2  2  0.0661  0.2500  0.8611  1
  Se  Se3  2  0.4478  0.2500  0.3547  1
]