data_[Sr2Sn4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.3387]
_cell_length_b [7.8662]
_cell_length_c [7.2369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.4626]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Sr(SnSe2)2]
_chemical_formula_sum '[Sr2 Sn4 Se8]'
_cell_volume [441.0487]
_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
[
  Sr  Sr0  2  0.0000  0.9927  0.5000  1.0
  Sn  Sn1  2  0.0000  0.4824  0.5000  1.0
  Sn  Sn2  2  0.0000  0.5093  0.0000  1.0
  Se  Se3  4  0.1877  0.6883  0.4032  1.0
  Se  Se4  4  0.1992  0.3195  0.9934  1.0
]