data_[Tm4Mn2Ag6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3820]
_cell_length_b [4.0349]
_cell_length_c [8.0079]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8094]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2Mn(AgSe2)3]
_chemical_formula_sum '[Tm4 Mn2 Ag6 Se12]'
_cell_volume [547.6601]
_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  4  0.1647  0.0000  0.3173  1.0
  Mn  Mn1  2  0.0000  0.5000  0.0000  1.0
  Ag  Ag2  4  0.1781  0.0000  0.8212  1.0
  Ag  Ag3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0016  0.0000  0.7770  1.0
  Se  Se5  4  0.1561  0.5000  0.0667  1.0
  Se  Se6  4  0.1656  0.5000  0.5692  1.0
]