data_[Pr12Ho4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.6174]
_cell_length_b [7.6742]
_cell_length_c [8.1793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3HoHg]
_chemical_formula_sum '[Pr12 Ho4 Hg4]'
_cell_volume [675.2049]
_cell_formula_units_Z [4]
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  8  0.1644  0.2447  0.1471  1
  Pr  Pr1  4  0.0478  0.5000  0.7331  1
  Ho  Ho2  4  0.0594  0.0000  0.7410  1
  Hg  Hg3  4  0.2320  0.0000  0.5017  1
]