data_[Tb2Hg3Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.4575]
_cell_length_b [4.8224]
_cell_length_c [8.4879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Tb2Hg3Pd]
_chemical_formula_sum '[Tb2 Hg3 Pd1]'
_cell_volume [141.5215]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.4785  1.0
  Tb  Tb1  1  0.0000  0.5000  0.0336  1.0
  Hg  Hg2  1  0.5000  0.0000  0.1692  1.0
  Hg  Hg3  1  0.5000  0.0000  0.8319  1.0
  Hg  Hg4  1  0.5000  0.5000  0.6565  1.0
  Pd  Pd5  1  0.5000  0.5000  0.3304  1.0
]