data_[Pa3Cr2Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0951]
_cell_length_b [4.0951]
_cell_length_c [12.4981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pa3Cr2Hg3]
_chemical_formula_sum '[Pa3 Cr2 Hg3]'
_cell_volume [209.5914]
_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  2  0.5000  0.5000  0.2446  1
  Pa  Pa1  1  0.5000  0.5000  0.0000  1
  Cr  Cr2  2  0.0000  0.5000  0.3372  1
  Hg  Hg3  1  0.0000  0.0000  0.0000  1
  Hg  Hg4  1  0.0000  0.0000  0.5000  1
  Hg  Hg5  1  0.5000  0.5000  0.5000  1
]