data_[Cs2Tm2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5965]
_cell_length_b [4.1455]
_cell_length_c [10.4840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsTmAgSe3]
_chemical_formula_sum '[Cs2 Tm2 Ag2 Se6]'
_cell_volume [382.0153]
_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
[
  Cs  Cs0  2  0.2213  0.7500  0.2492  1.0
  Tm  Tm1  2  0.3246  0.2500  0.8587  1.0
  Ag  Ag2  2  0.0785  0.7500  0.6047  1.0
  Se  Se3  2  0.1284  0.7500  0.8711  1.0
  Se  Se4  2  0.2267  0.2500  0.5585  1.0
  Se  Se5  2  0.4747  0.2500  0.1516  1.0
]