data_[Na2Er2Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1085]
_cell_length_b [3.7322]
_cell_length_c [8.1235]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaErTl4]
_chemical_formula_sum '[Na2 Er2 Tl8]'
_cell_volume [341.2732]
_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
[
  Na  Na0  2  0.0000  0.0000  0.0000  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.1594  0.5000  0.3453  1
  Tl  Tl3  4  0.1808  0.5000  0.8251  1
]