data_[Zr2Tl1Pd1F11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [P-1]
_cell_length_a [5.0547]
_cell_length_b [5.5830]
_cell_length_c [7.4845]
_cell_angle_alpha [77.5098]
_cell_angle_beta [78.2142]
_cell_angle_gamma [78.8416]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Zr2TlPdF11]
_chemical_formula_sum '[Zr2 Tl1 Pd1 F11]'
_cell_volume [199.3880]
_cell_formula_units_Z [1]
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
[
  Zr  Zr0  2  0.4267  0.4727  0.2461  1
  Tl  Tl1  1  0.0000  0.0000  0.0000  1
  Pd  Pd2  1  0.0000  0.0000  0.5000  1
  F  F3  2  0.0572  0.6824  0.3497  1
  F  F4  2  0.1624  0.2340  0.2564  1
  F  F5  2  0.2630  0.5647  0.9857  1
  F  F6  2  0.3432  0.8591  0.6550  1
  F  F7  2  0.4730  0.1894  0.8333  1
  F  F8  1  0.5000  0.5000  0.5000  1
]