data_[Er2Tm12Tl4]
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 [12.6555]
_cell_length_b [3.6611]
_cell_length_c [11.9261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3519]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er(Tm3Tl)2]
_chemical_formula_sum '[Er2 Tm12 Tl4]'
_cell_volume [524.4647]
_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  2  0.0000  0.0000  0.0000  1.0
  Tm  Tm1  4  0.0144  0.0000  0.3455  1.0
  Tm  Tm2  4  0.1828  0.5000  0.8762  1.0
  Tm  Tm3  4  0.1881  0.5000  0.5835  1.0
  Tl  Tl4  4  0.1425  0.5000  0.2068  1.0
]