data_[Pm2Nd1Hg3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8245]
_cell_length_b [3.8245]
_cell_length_c [11.4515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pm2NdHg3]
_chemical_formula_sum '[Pm2 Nd1 Hg3]'
_cell_volume [167.4992]
_cell_formula_units_Z [1]
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
[
  Pm  Pm0  2  0.5000  0.5000  0.1659  1
  Nd  Nd1  1  0.5000  0.5000  0.5000  1
  Hg  Hg2  2  0.0000  0.0000  0.3306  1
  Hg  Hg3  1  0.0000  0.0000  0.0000  1
]