data_Sc2OsAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   128.18
_cell_angle_beta   121.68
_cell_angle_gamma   81.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2OsAu
_chemical_formula_sum   'Sc2 Os1 Au1'
_cell_volume   70.55
_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  0.09  0.0  0.74  1.0
  Sc  Sc3  1  0.0  0.33  0.88  1.0
  Os  Os1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.62  1.0

data_Sc2OsAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   4.66
_cell_length_c   4.79
_cell_angle_alpha   119.16
_cell_angle_beta   115.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2OsAu
_chemical_formula_sum   'Sc2 Os1 Au1'
_cell_volume   70.55
_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  0.12  0.45  0.45  1.0
  Sc  Sc1  1  0.36  0.26  0.36  1.0
  Os  Os2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.38  0.38  0.38  1.0

Sc Sc Os Au