data_[Sr8Sn4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.4611]
_cell_length_b [6.0480]
_cell_length_c [8.5015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sr2SnS3]
_chemical_formula_sum '[Sr8 Sn4 S12]'
_cell_volume [656.7051]
_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
[
  Sr  Sr0  8  0.1660  0.4998  0.5830  1.0
  Sn  Sn1  4  0.0000  0.0128  0.7500  1.0
  S  S2  8  0.1663  0.0001  0.5832  1.0
  S  S3  4  0.0000  0.4542  0.7500  1.0
]