data_[Er6Tm16Tl8]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7863]
_cell_length_b [12.6877]
_cell_length_c [6.5379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(Tm2Tl)4]
_chemical_formula_sum '[Er6 Tm16 Tl8]'
_cell_volume [917.0668]
_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
[
  Er  Er0  4  0.2500  0.2500  0.0000  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Tm  Tm2  4  0.0000  0.2634  0.5000  1
  Tm  Tm3  4  0.0000  0.3605  0.0000  1
  Tm  Tm4  4  0.2280  0.5000  0.9816  1
  Tm  Tm5  4  0.2379  0.5000  0.4900  1
  Tl  Tl6  4  0.2500  0.2500  0.5000  1
  Tl  Tl7  2  0.0000  0.0000  0.0000  1
  Tl  Tl8  2  0.0000  0.5000  0.5000  1
]