data_[Tm2Ag4Sn6Se12]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1647]
_cell_length_b [12.4648]
_cell_length_c [7.2330]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmAg2(SnSe2)3]
_chemical_formula_sum '[Tm2 Ag4 Sn6 Se12]'
_cell_volume [610.0618]
_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
[
  Tm  Tm0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  4  0.0000  0.3287  0.0000  1.0
  Sn  Sn2  4  0.0000  0.1615  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2436  0.1621  0.2357  1.0
  Se  Se5  4  0.2457  0.0000  0.7573  1.0
]