data_[Pm1Hg1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Hg  2.0000  1.5000  1.2450
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5555]
_cell_length_b [6.6177]
_cell_length_c [6.9824]
_cell_angle_alpha [116.7570]
_cell_angle_beta [90.0747]
_cell_angle_gamma [115.6419]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PmHgCl6]
_chemical_formula_sum '[Pm1 Hg1 Cl6]'
_cell_volume [236.4936]
_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
[
  Pm  Pm0  1  0.5000  0.0000  0.5000  1
  Hg  Hg1  1  0.0000  0.0000  0.0000  1
  Cl  Cl2  2  0.0801  0.8373  0.2409  1
  Cl  Cl3  2  0.2350  0.8129  0.7448  1
  Cl  Cl4  2  0.4310  0.5123  0.2519  1
]