data_[Pr2Tm12Hg4]
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 [C2/m]
_cell_length_a [12.5479]
_cell_length_b [3.6934]
_cell_length_c [11.7989]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(Tm3Hg)2]
_chemical_formula_sum '[Pr2 Tm12 Hg4]'
_cell_volume [519.8053]
_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  0.0000  0.0000  0.0000  1.0
  Tm  Tm1  4  0.0137  0.0000  0.3416  1.0
  Tm  Tm2  4  0.1870  0.5000  0.5816  1.0
  Tm  Tm3  4  0.1880  0.5000  0.8744  1.0
  Hg  Hg4  4  0.1515  0.5000  0.2224  1.0
]