data_[Er12Tl2Zn10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0425]
_cell_length_b [15.1949]
_cell_length_c [7.1920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er6TlZn5]
_chemical_formula_sum '[Er12 Tl2 Zn10]'
_cell_volume [551.0582]
_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  8  0.0000  0.1709  0.2566  1
  Er  Er1  4  0.0000  0.5000  0.2611  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Zn  Zn3  4  0.0000  0.3298  0.0000  1
  Zn  Zn4  4  0.0000  0.3339  0.5000  1
  Zn  Zn5  2  0.0000  0.0000  0.5000  1
]