data_[Sr2Sn2S4]
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 [Cm]
_cell_length_a [6.0205]
_cell_length_b [5.9696]
_cell_length_c [6.0187]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SrSnS2]
_chemical_formula_sum '[Sr2 Sn2 S4]'
_cell_volume [216.3061]
_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  0.2566  0.0000  0.5013  1
  Sn  Sn1  2  0.2722  0.5000  0.0201  1
  S  S2  2  0.2218  0.0000  0.0044  1
  S  S3  2  0.2588  0.5000  0.4671  1
]