data_[Pr4Ho12Hg4]
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 [11.3170]
_cell_length_b [7.3504]
_cell_length_c [7.9659]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0370]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PrHo3Hg]
_chemical_formula_sum '[Pr4 Ho12 Hg4]'
_cell_volume [618.4725]
_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  4  0.0562  0.0000  0.2343  1
  Ho  Ho1  8  0.1608  0.2512  0.6414  1
  Ho  Ho2  4  0.0612  0.5000  0.2448  1
  Hg  Hg3  4  0.2352  0.5000  0.0003  1
]