data_[Pr4Ho6Hg4]
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 [12.0042]
_cell_length_b [4.7807]
_cell_length_c [8.2931]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Ho3Hg2]
_chemical_formula_sum '[Pr4 Ho6 Hg4]'
_cell_volume [428.3003]
_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  4  0.1349  0.0000  0.7882  1.0
  Ho  Ho1  4  0.1285  0.5000  0.4555  1.0
  Ho  Ho2  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg3  4  0.1506  0.0000  0.2016  1.0
]