data_[Tm2Ag4Ge2Se8]
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
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.5558]
_cell_length_b [7.3579]
_cell_length_c [7.5091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [TmAg2GeSe4]
_chemical_formula_sum '[Tm2 Ag4 Ge2 Se8]'
_cell_volume [388.8295]
_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  0.0895  0.0000  1
  Ag  Ag1  4  0.0080  0.4947  0.7275  1
  Ge  Ge2  2  0.0000  0.9354  0.5000  1
  Se  Se3  4  0.1924  0.1730  0.4479  1
  Se  Se4  4  0.2017  0.8196  0.9404  1
]