data_[Pa1Zn3]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.0353]
_cell_length_b [4.4255]
_cell_length_c [5.6967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [PaZn3]
_chemical_formula_sum '[Pa1 Zn3]'
_cell_volume [76.5222]
_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
[
  Pa  Pa0  1  0.0000  0.5000  0.3306  1
  Zn  Zn1  1  0.0000  0.0000  0.9462  1
  Zn  Zn2  1  0.5000  0.0000  0.5536  1
  Zn  Zn3  1  0.5000  0.5000  0.8363  1
]