data_[Ba4Sr8Sn4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.6685]
_cell_length_b [8.6740]
_cell_length_c [12.2525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaSr2SnS4]
_chemical_formula_sum '[Ba4 Sr8 Sn4 S16]'
_cell_volume [921.2730]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.2500  0.2500  0.7500  1
  Sr  Sr1  4  0.0000  0.0000  0.5000  1
  Sr  Sr2  4  0.2500  0.2500  0.2500  1
  Sn  Sn3  4  0.0000  0.0000  0.0000  1
  S  S4  8  0.0000  0.0105  0.2493  1
  S  S5  8  0.2491  0.2500  0.0052  1
]