data_[Cs6Er2Tm4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3284]
_cell_length_b [12.6919]
_cell_length_c [8.7188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Er(TmSe3)2]
_chemical_formula_sum '[Cs6 Er2 Tm4 Se12]'
_cell_volume [778.4616]
_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  0.1666  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Er  Er2  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm3  4  0.0000  0.3333  0.0000  1.0
  Se  Se4  8  0.2284  0.1672  0.1835  1.0
  Se  Se5  4  0.2268  0.5000  0.1835  1.0
]