data_ZrHgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   139.3
_cell_angle_beta   137.89
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrHgSb2
_chemical_formula_sum   'Zr1 Hg1 Sb2'
_cell_volume   96.59
_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
  Zr  Zr3  1  0.0  0.0  0.28  1.0
  Hg  Hg0  1  0.0  0.18  0.56  1.0
  Sb  Sb1  1  0.0  0.0  0.48  1.0
  Sb  Sb2  1  0.11  0.0  0.7  1.0

data_ZrHgSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.22
_cell_length_b   4.36
_cell_length_c   6.07
_cell_angle_alpha   111.06
_cell_angle_beta   110.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrHgSb2
_chemical_formula_sum   'Zr1 Hg1 Sb2'
_cell_volume   96.59
_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
  Zr  Zr0  1  0.0  0.28  0.28  1.0
  Hg  Hg1  1  0.82  0.38  0.38  1.0
  Sb  Sb2  1  0.0  0.48  0.48  1.0
  Sb  Sb3  1  0.0  0.7  0.59  1.0

Zr Hg Sb Sb