data_[Sr4Li8Te4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.6427]
_cell_length_b [12.0159]
_cell_length_c [8.0131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.6817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SrLi2TeS4]
_chemical_formula_sum '[Sr4 Li8 Te4 S16]'
_cell_volume [799.9411]
_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  0.2444  0.7357  0.7180  1
  Li  Li1  4  0.0475  0.5550  0.8555  1
  Li  Li2  4  0.1852  0.7727  0.1457  1
  Te  Te3  4  0.0644  0.0082  0.8019  1
  S  S4  4  0.0131  0.7473  0.2499  1
  S  S5  4  0.0566  0.2105  0.7931  1
  S  S6  4  0.2327  0.4860  0.2445  1
  S  S7  4  0.2422  0.9849  0.1860  1
]