data_[Tm1Ag2Sb1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6802]
_cell_length_b [3.9627]
_cell_length_c [6.9192]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TmAg2SbS4]
_chemical_formula_sum '[Tm1 Ag2 Sb1 S4]'
_cell_volume [171.1696]
_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
[
  Tm  Tm0  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.5000  0.0000  0.5000  1.0
  Ag  Ag2  1  0.5000  0.5000  0.0000  1.0
  Sb  Sb3  1  0.0000  0.5000  0.5000  1.0
  S  S4  2  0.2378  0.5000  0.2464  1.0
  S  S5  2  0.2448  0.0000  0.7563  1.0
]