data_ScSiHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.16
_cell_length_c   3.26
_cell_angle_alpha   77.82
_cell_angle_beta   72.01
_cell_angle_gamma   30.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiHg
_chemical_formula_sum   'Sc1 Si1 Hg1'
_cell_volume   60.32
_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  0.06  0.52  0.9  1.0
  Si  Si2  1  0.06  0.52  0.81  1.0
  Hg  Hg0  1  0.06  0.52  0.53  1.0

data_ScSiHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.12
_cell_length_b   11.62
_cell_length_c   3.26
_cell_angle_alpha   90.0
_cell_angle_beta   129.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSiHg
_chemical_formula_sum   'Sc2 Si2 Hg2'
_cell_volume   120.63
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.02  0.5  0.04  1.0
  Si  Si1  2  0.11  0.5  0.14  1.0
  Hg  Hg2  2  0.39  0.5  0.42  1.0

Sc Si Hg