data_[Sr2Li2Ta2S8]
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
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1135]
_cell_length_b [7.0032]
_cell_length_c [8.0477]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7298]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrLiTaS4]
_chemical_formula_sum '[Sr2 Li2 Ta2 S8]'
_cell_volume [377.3803]
_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  0.2401  0.7500  0.0347  1.0
  Li  Li1  2  0.2658  0.7500  0.4920  1.0
  Ta  Ta2  2  0.2644  0.2500  0.3255  1.0
  S  S3  4  0.0508  0.5060  0.2515  1.0
  S  S4  2  0.4346  0.2500  0.6172  1.0
  S  S5  2  0.4825  0.2500  0.1722  1.0
]