data_[Re2Ag4Sn2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.8952]
_cell_length_b [6.8952]
_cell_length_c [9.7514]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [ReAg2SnS6]
_chemical_formula_sum '[Re2 Ag4 Sn2 S12]'
_cell_volume [463.6233]
_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
[
  Re  Re0  2  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.2500  0.5000  0.0000  1
  Sn  Sn2  2  0.0000  0.5000  0.5000  1
  S  S3  8  0.0000  0.2390  0.7610  1
  S  S4  4  0.2390  0.0000  0.0000  1
]