data_YSc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   4.45
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   104.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Os
_chemical_formula_sum   'Y1 Sc2 Os1'
_cell_volume   86.15
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.98  0.23  0.18  1.0
  Sc  Sc2  1  0.79  0.23  0.7  1.0
  Os  Os0  1  0.88  0.0  0.94  1.0

data_YSc2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.45
_cell_length_c   6.08
_cell_angle_alpha   90.0
_cell_angle_beta   104.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Os
_chemical_formula_sum   'Y1 Sc2 Os1'
_cell_volume   86.15
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Sc  Sc1  1  0.79  0.23  0.7  1.0
  Sc  Sc2  1  0.98  0.23  0.18  1.0
  Os  Os3  1  0.88  0.0  0.94  1.0

Y Sc Sc Os
Y Sc Sc Os 0 3 - o - 0 1 - o o 0 2 - o - 1 3 o o - 2 3 o o o 