data_[Pa2Zn3Si1]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6467]
_cell_length_b [4.3136]
_cell_length_c [7.4646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pa2Zn3Si]
_chemical_formula_sum '[Pa2 Zn3 Si1]'
_cell_volume [117.4220]
_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  0.0000  0.4930  1
  Pa  Pa1  1  0.0000  0.5000  0.0080  1
  Zn  Zn2  1  0.5000  0.0000  0.1661  1
  Zn  Zn3  1  0.5000  0.0000  0.8314  1
  Zn  Zn4  1  0.5000  0.5000  0.6662  1
  Si  Si5  1  0.5000  0.5000  0.3353  1
]