data_[Pm1Tc2Hg1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Tc  1.9000  1.3500  0.7417
  Hg  2.0000  1.5000  1.2450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3296]
_cell_length_b [6.3296]
_cell_length_c [8.0941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [PmTc2HgO8]
_chemical_formula_sum '[Pm1 Tc2 Hg1 O8]'
_cell_volume [280.8374]
_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  0.0000  0.0000  0.5000  1
  Tc  Tc1  2  0.3333  0.6667  0.7276  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  O  O3  6  0.1811  0.3622  0.6525  1
  O  O4  2  0.3333  0.6667  0.9397  1
]