data_[Y6Er12Tl2]
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 [P2_1/m]
_cell_length_a [12.8002]
_cell_length_b [3.5537]
_cell_length_c [14.3459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Y3Er6Tl]
_chemical_formula_sum '[Y6 Er12 Tl2]'
_cell_volume [620.0936]
_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  2  0.0311  0.7500  0.9052  1.0
  Y  Y1  2  0.1237  0.7500  0.5026  1.0
  Y  Y2  2  0.4902  0.7500  0.1037  1.0
  Er  Er3  2  0.1155  0.2500  0.7110  1.0
  Er  Er4  2  0.1670  0.7500  0.2825  1.0
  Er  Er5  2  0.2452  0.2500  0.1027  1.0
  Er  Er6  2  0.2815  0.7500  0.8995  1.0
  Er  Er7  2  0.3545  0.7500  0.6919  1.0
  Er  Er8  2  0.3618  0.2500  0.4773  1.0
  Tl  Tl9  2  0.4246  0.7500  0.3049  1.0
]