data_ScSn2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95
_cell_length_b   5.95
_cell_length_c   5.3
_cell_angle_alpha   110.0
_cell_angle_beta   110.0
_cell_angle_gamma   33.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Hg
_chemical_formula_sum   'Sc1 Sn2 Hg1'
_cell_volume   95.99
_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  Sc1  1  0.29  0.0  0.88  1.0
  Sn  Sn2  1  0.99  0.0  0.39  1.0
  Sn  Sn3  1  0.49  0.0  0.41  1.0
  Hg  Hg0  1  0.5  0.0  0.75  1.0

data_ScSn2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   5.3
_cell_length_c   5.95
_cell_angle_alpha   110.0
_cell_angle_beta   106.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Hg
_chemical_formula_sum   'Sc1 Sn2 Hg1'
_cell_volume   95.99
_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  0.88  0.29  1.0
  Sn  Sn1  1  0.0  0.39  0.99  1.0
  Sn  Sn2  1  0.0  0.41  0.49  1.0
  Hg  Hg3  1  0.0  0.75  0.5  1.0

Sc Sn Sn Hg