data_[Ca1Pa2Hg1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pa  1.5000  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [6.0351]
_cell_length_b [6.0351]
_cell_length_c [6.0654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [CaPa2HgO8]
_chemical_formula_sum '[Ca1 Pa2 Hg1 O8]'
_cell_volume [191.3219]
_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
[
  Ca  Ca0  1  0.0000  0.0000  0.5000  1
  Pa  Pa1  2  0.3333  0.6667  0.8993  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  O  O3  6  0.0560  0.3562  0.1653  1
  O  O4  2  0.3333  0.6667  0.5845  1
]