data_[Er4Tm2Sc2Tl4]
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
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9525]
_cell_length_b [9.6888]
_cell_length_c [6.8005]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Er2TmScTl2]
_chemical_formula_sum '[Er4 Tm2 Sc2 Tl4]'
_cell_volume [326.3154]
_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  0.1907  0.3427  1.0
  Er  Er1  2  0.5000  0.0457  0.0561  1.0
  Tm  Tm2  2  0.0000  0.4549  0.9554  1.0
  Sc  Sc3  2  0.5000  0.3062  0.6696  1.0
  Tl  Tl4  2  0.0000  0.1377  0.7988  1.0
  Tl  Tl5  2  0.5000  0.3792  0.2230  1.0
]