data_[Er12Tl10Zn2]
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 [C2/m]
_cell_length_a [6.3981]
_cell_length_b [11.1490]
_cell_length_c [9.6359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1260]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Tl5Zn]
_chemical_formula_sum '[Er12 Tl10 Zn2]'
_cell_volume [669.3931]
_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  0.2414  0.8379  0.2419  1
  Er  Er1  4  0.2404  0.0000  0.7522  1
  Tl  Tl2  4  0.0000  0.1729  0.5000  1
  Tl  Tl3  4  0.0000  0.3369  0.0000  1
  Tl  Tl4  2  0.0000  0.5000  0.5000  1
  Zn  Zn5  2  0.0000  0.0000  0.0000  1
]