data_ScHgGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   4.55
_cell_angle_alpha   109.4
_cell_angle_beta   109.4
_cell_angle_gamma   43.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScHgGe2
_chemical_formula_sum   'Sc1 Hg1 Ge2'
_cell_volume   83.14
_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  0.0  1.0
  Hg  Hg2  1  0.16  0.0  0.13  1.0
  Ge  Ge0  1  0.27  0.0  0.47  1.0
  Ge  Ge1  1  0.05  0.0  0.78  1.0

data_ScHgGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.55
_cell_length_c   5.35
_cell_angle_alpha   109.4
_cell_angle_beta   111.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScHgGe2
_chemical_formula_sum   'Sc1 Hg1 Ge2'
_cell_volume   83.14
_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  0.0  0.0  1.0
  Hg  Hg1  1  0.0  0.13  0.16  1.0
  Ge  Ge2  1  0.0  0.47  0.27  1.0
  Ge  Ge3  1  0.0  0.78  0.05  1.0

Sc Hg Ge Ge