data_[Pr2Tm2Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.0461]
_cell_length_b [6.7624]
_cell_length_c [11.6428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [PrTmHg6]
_chemical_formula_sum '[Pr2 Tm2 Hg12]'
_cell_volume [397.2995]
_cell_formula_units_Z [2]
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
[
  Pr  Pr0  2  0.5000  0.0000  0.5866  1.0
  Tm  Tm1  2  0.0000  0.0000  0.9133  1.0
  Hg  Hg2  4  0.0000  0.2387  0.1689  1.0
  Hg  Hg3  4  0.5000  0.2494  0.8355  1.0
  Hg  Hg4  2  0.0000  0.0000  0.4136  1.0
  Hg  Hg5  2  0.5000  0.0000  0.0782  1.0
]