data_[Sr2Tb2Al2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tb  1.1000  1.7500  0.9815
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5422]
_cell_length_b [6.6704]
_cell_length_c [8.0606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrTbAlS4]
_chemical_formula_sum '[Sr2 Tb2 Al2 S8]'
_cell_volume [336.2073]
_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  0.2524  0.2500  0.0616  1.0
  Tb  Tb1  2  0.2189  0.2500  0.5525  1.0
  Al  Al2  2  0.2419  0.7500  0.3200  1.0
  S  S3  4  0.0022  0.0027  0.2703  1.0
  S  S4  2  0.4417  0.7500  0.1401  1.0
  S  S5  2  0.4479  0.7500  0.5925  1.0
]