data_Sc2HgOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   146.63
_cell_angle_beta   132.88
_cell_angle_gamma   58.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2HgOs
_chemical_formula_sum   'Sc2 Hg1 Os1'
_cell_volume   78.49
_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  0.32  0.71  1.0
  Sc  Sc3  1  0.0  0.0  0.57  1.0
  Hg  Hg0  1  0.0  0.32  0.24  1.0
  Os  Os1  1  0.0  0.0  0.66  1.0

data_Sc2HgOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.65
_cell_length_c   5.81
_cell_angle_alpha   113.56
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2HgOs
_chemical_formula_sum   'Sc2 Hg1 Os1'
_cell_volume   78.49
_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  0.57  0.57  1.0
  Sc  Sc1  1  0.68  0.39  0.39  1.0
  Hg  Hg2  1  0.68  0.92  0.92  1.0
  Os  Os3  1  0.0  0.66  0.66  1.0

Sc Sc Hg Os