data_[Er16Sc4Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4444]
_cell_length_b [4.8750]
_cell_length_c [7.7493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2693]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Sc2Tl]
_chemical_formula_sum '[Er16 Sc4 Tl2]'
_cell_volume [632.6231]
_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  0.0462  0.0000  0.7224  1.0
  Er  Er1  4  0.0945  0.5000  0.4489  1.0
  Er  Er2  4  0.1383  0.0000  0.1858  1.0
  Er  Er3  4  0.1825  0.5000  0.9124  1.0
  Sc  Sc4  4  0.2240  0.0000  0.6339  1.0
  Tl  Tl5  2  0.0000  0.5000  0.0000  1.0
]