data_[Pr4Mg20Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7448]
_cell_length_b [15.3373]
_cell_length_c [15.1738]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrMg5Hg3]
_chemical_formula_sum '[Pr4 Mg20 Hg12]'
_cell_volume [871.5109]
_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  0.0000  0.1517  0.2500  1
  Mg  Mg1  8  0.0000  0.1944  0.5650  1
  Mg  Mg2  8  0.0000  0.4531  0.1527  1
  Mg  Mg3  4  0.0000  0.0000  0.0000  1
  Hg  Hg4  8  0.0000  0.3769  0.5711  1
  Hg  Hg5  4  0.0000  0.1628  0.7500  1
]