data_[Th1Tl2Ag1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0288]
_cell_length_b [4.0490]
_cell_length_c [8.0540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ThTl2AgS4]
_chemical_formula_sum '[Th1 Tl2 Ag1 S4]'
_cell_volume [213.4880]
_cell_formula_units_Z [1]
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
[
  Th  Th0  1  0.5000  0.0000  0.5000  1
  Tl  Tl1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  1  0.5000  0.5000  0.0000  1
  Ag  Ag3  1  0.0000  0.5000  0.5000  1
  S  S4  2  0.2164  0.0000  0.6829  1
  S  S5  2  0.2880  0.5000  0.2780  1
]