data_[Cs4Tm4Zr2Se12]
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
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0456]
_cell_length_b [12.1610]
_cell_length_c [8.9109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Tm2ZrSe6]
_chemical_formula_sum '[Cs4 Tm4 Zr2 Se12]'
_cell_volume [735.0844]
_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  4  0.0000  0.1689  0.0000  1.0
  Tm  Tm1  4  0.0000  0.3328  0.5000  1.0
  Zr  Zr2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2236  0.1601  0.6809  1.0
  Se  Se4  4  0.2392  0.5000  0.6798  1.0
]