data_[Pa4Zn2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3375]
_cell_length_b [12.7723]
_cell_length_c [10.2903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0975]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pa2ZnBr8]
_chemical_formula_sum '[Pa4 Zn2 Br16]'
_cell_volume [1184.8732]
_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  0.0735  0.0000  0.3157  1
  Zn  Zn1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.0018  0.1963  0.2273  1
  Br  Br3  4  0.1577  0.5000  0.7331  1
  Br  Br4  4  0.2043  0.0000  0.5976  1
]