data_[Sr4In8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9820]
_cell_length_b [12.9961]
_cell_length_c [12.6349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sr(InS2)2]
_chemical_formula_sum '[Sr4 In8 S16]'
_cell_volume [653.8712]
_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  4  0.0000  0.3947  0.2500  1.0
  In  In1  8  0.0000  0.1387  0.0670  1.0
  S  S2  8  0.0000  0.2256  0.6134  1.0
  S  S3  4  0.0000  0.0580  0.2500  1.0
  S  S4  4  0.0000  0.5000  0.0000  1.0
]