data_[Er16Tl4Sn2]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7109]
_cell_length_b [14.6110]
_cell_length_c [5.5285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5770]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er8Tl2Sn]
_chemical_formula_sum '[Er16 Tl4 Sn2]'
_cell_volume [649.7139]
_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  0.2105  0.8864  0.1214  1
  Er  Er1  4  0.0000  0.2172  0.5000  1
  Er  Er2  4  0.1008  0.5000  0.2978  1
  Tl  Tl3  4  0.0000  0.3044  0.0000  1
  Sn  Sn4  2  0.0000  0.0000  0.5000  1
]