data_[La2Ag2S4]
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]
_cell_length_a [4.2284]
_cell_length_b [5.5850]
_cell_length_c [9.2850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.1054]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [LaAgS2]
_chemical_formula_sum '[La2 Ag2 S4]'
_cell_volume [219.1193]
_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  0.2366  0.9011  0.3594  1.0
  Ag  Ag1  2  0.1859  0.6478  0.0257  1.0
  S  S2  2  0.2445  0.3996  0.4305  1.0
  S  S3  2  0.2813  0.3243  0.8523  1.0
]