data_[Pa4Tl6Ni2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3496]
_cell_length_b [12.6833]
_cell_length_c [8.7576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2Tl3NiTe6]
_chemical_formula_sum '[Pa4 Tl6 Ni2 Te12]'
_cell_volume [783.8705]
_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
[
  Pa  Pa0  4  0.0000  0.3400  0.0000  1
  Tl  Tl1  4  0.0000  0.1792  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Ni  Ni3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2186  0.1563  0.1990  1
  Te  Te5  4  0.2407  0.0000  0.7837  1
]