data_[Y4Er4Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2514]
_cell_length_b [3.7044]
_cell_length_c [8.3131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1173]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Er2Tl3]
_chemical_formula_sum '[Y4 Er4 Tl6]'
_cell_volume [400.4150]
_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
[
  Y  Y0  4  0.2035  0.5000  0.1509  1.0
  Er  Er1  4  0.0681  0.5000  0.7202  1.0
  Tl  Tl2  4  0.1446  0.0000  0.4551  1.0
  Tl  Tl3  2  0.0000  0.0000  0.0000  1.0
]