data_[Y1Er6Tl4]
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 [P-6m2]
_cell_length_a [10.0629]
_cell_length_b [10.0629]
_cell_length_c [3.6680]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Y(Er3Tl2)2]
_chemical_formula_sum '[Y1 Er6 Tl4]'
_cell_volume [321.6670]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Er  Er1  3  0.1906  0.3812  0.5000  1.0
  Er  Er2  3  0.5396  0.0791  0.0000  1.0
  Tl  Tl3  3  0.3225  0.1613  0.5000  1.0
  Tl  Tl4  1  0.3333  0.6667  0.0000  1.0
]