data_[Th4Hg1Bi2Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8434]
_cell_length_b [4.5229]
_cell_length_c [7.9047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1902]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Th4HgBi2Sb]
_chemical_formula_sum '[Th4 Hg1 Bi2 Sb1]'
_cell_volume [264.8355]
_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
[
  Th  Th0  2  0.2503  0.0000  0.7374  1
  Th  Th1  2  0.2613  0.5000  0.2656  1
  Hg  Hg2  1  0.5000  0.0000  0.5000  1
  Bi  Bi3  1  0.0000  0.0000  0.0000  1
  Bi  Bi4  1  0.5000  0.5000  0.0000  1
  Sb  Sb5  1  0.0000  0.5000  0.5000  1
]