data_[Er12Tm4Tl2]
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 [P4_2/mnm]
_cell_length_a [10.4985]
_cell_length_b [10.4985]
_cell_length_c [4.8292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Er6Tm2Tl]
_chemical_formula_sum '[Er12 Tm4 Tl2]'
_cell_volume [532.2686]
_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  8  0.0000  0.6642  0.5000  1.0
  Er  Er1  4  0.1628  0.8372  0.0000  1.0
  Tm  Tm2  4  0.1635  0.1635  0.0000  1.0
  Tl  Tl3  2  0.0000  0.0000  0.5000  1.0
]