data_ScHgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   5.89
_cell_angle_alpha   146.8
_cell_angle_beta   139.61
_cell_angle_gamma   53.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScHgSb
_chemical_formula_sum   'Sc1 Hg1 Sb1'
_cell_volume   71.91
_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
  Sc  Sc2  1  0.0  0.0  0.06  1.0
  Hg  Hg0  1  0.0  0.0  0.07  1.0
  Sb  Sb1  1  0.0  0.0  0.39  1.0

data_ScHgSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.06
_cell_length_c   5.89
_cell_angle_alpha   110.2
_cell_angle_beta   106.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScHgSb
_chemical_formula_sum   'Sc1 Hg1 Sb1'
_cell_volume   71.91
_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
  Sc  Sc0  1  0.0  0.06  0.06  1.0
  Hg  Hg1  1  0.0  0.07  0.07  1.0
  Sb  Sb2  1  0.0  0.39  0.39  1.0

Sc Hg Sb
Sc Hg Sb 0 1 o o o 0 2 o o o 1 2 o o o 