data_[Er2Tl2Pd2F12]
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
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.4334]
_cell_length_b [9.7696]
_cell_length_c [6.0144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [ErTlPdF6]
_chemical_formula_sum '[Er2 Tl2 Pd2 F12]'
_cell_volume [376.7082]
_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  2  0.0000  0.6807  0.5000  1.0
  Tl  Tl1  2  0.0000  0.0074  0.0000  1.0
  Pd  Pd2  2  0.0000  0.3364  0.5000  1.0
  F  F3  4  0.1145  0.8033  0.7627  1.0
  F  F4  4  0.1591  0.4910  0.6550  1.0
  F  F5  4  0.1908  0.1933  0.6453  1.0
]