data_[Pr2Y12Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7592]
_cell_length_b [3.7434]
_cell_length_c [11.9902]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr(Y3Hg)2]
_chemical_formula_sum '[Pr2 Y12 Hg4]'
_cell_volume [544.0082]
_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
  Y  Y1  4  0.0161  0.0000  0.3401  1
  Y  Y2  4  0.1883  0.5000  0.5843  1
  Y  Y3  4  0.1887  0.5000  0.8747  1
  Hg  Hg4  4  0.1483  0.5000  0.2161  1
]