data_ScHg2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   155.24
_cell_angle_beta   146.09
_cell_angle_gamma   42.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScHg2Cl
_chemical_formula_sum   'Sc1 Hg2 Cl1'
_cell_volume   97.26
_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  Sc3  1  0.0  0.0  0.96  1.0
  Hg  Hg1  1  0.6  0.0  0.31  1.0
  Hg  Hg2  1  0.0  0.18  0.66  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScHg2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.36
_cell_length_c   7.47
_cell_angle_alpha   106.96
_cell_angle_beta   102.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScHg2Cl
_chemical_formula_sum   'Sc1 Hg2 Cl1'
_cell_volume   97.26
_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  0.96  0.96  1.0
  Hg  Hg1  1  0.0  0.31  0.7  1.0
  Hg  Hg2  1  0.82  0.48  0.48  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sc Hg Hg Cl