data_[La4Ag2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.0860]
_cell_length_b [5.7662]
_cell_length_c [8.3711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2284]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La2AgS4]
_chemical_formula_sum '[La4 Ag2 S8]'
_cell_volume [326.6918]
_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
[
  La  La0  2  0.2295  0.7500  0.4372  1.0
  La  La1  2  0.2375  0.7500  0.9294  1.0
  Ag  Ag2  2  0.2487  0.2500  0.1845  1.0
  S  S3  4  0.4669  0.0219  0.7404  1.0
  S  S4  2  0.0545  0.2500  0.8853  1.0
  S  S5  2  0.0602  0.2500  0.3927  1.0
]