data_[Er12Tm3Ag3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  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 [R3m]
_cell_length_a [8.3285]
_cell_length_b [8.3285]
_cell_length_c [20.3677]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Er4TmAgSe8]
_chemical_formula_sum '[Er12 Tm3 Ag3 Se24]'
_cell_volume [1223.5225]
_cell_formula_units_Z [3]
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
[
  Er  Er0  9  0.1732  0.3464  0.8317  1.0
  Er  Er1  3  0.0000  0.0000  0.6248  1.0
  Tm  Tm2  3  0.0000  0.0000  0.0050  1.0
  Ag  Ag3  3  0.0000  0.0000  0.3751  1.0
  Se  Se4  9  0.0188  0.5094  0.7520  1.0
  Se  Se5  9  0.1784  0.3568  0.5809  1.0
  Se  Se6  3  0.0000  0.0000  0.2432  1.0
  Se  Se7  3  0.0000  0.0000  0.7584  1.0
]