data_ScFeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   146.52
_cell_angle_beta   129.28
_cell_angle_gamma   62.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeOs2
_chemical_formula_sum   'Sc1 Fe1 Os2'
_cell_volume   58.72
_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  0.48  1.0
  Fe  Fe0  1  0.0  0.22  0.28  1.0
  Os  Os1  1  0.0  0.0  0.84  1.0
  Os  Os2  1  0.49  0.0  0.15  1.0

data_ScFeOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.44
_cell_length_c   5.18
_cell_angle_alpha   115.36
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScFeOs2
_chemical_formula_sum   'Sc1 Fe1 Os2'
_cell_volume   58.72
_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  0.48  0.48  1.0
  Fe  Fe1  1  0.78  0.06  0.06  1.0
  Os  Os2  1  0.0  0.15  0.66  1.0
  Os  Os3  1  0.0  0.84  0.84  1.0

Sc Fe Os Os