data_Y2Sc2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56
_cell_length_b   8.56
_cell_length_c   8.56
_cell_angle_alpha   153.95
_cell_angle_beta   153.95
_cell_angle_gamma   37.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Sc2Os
_chemical_formula_sum   'Y2 Sc2 Os1'
_cell_volume   120.56
_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  0.51  1.0
  Y  Y4  1  0.0  0.0  0.71  1.0
  Sc  Sc1  1  0.0  0.93  0.05  1.0
  Sc  Sc2  1  0.93  0.0  0.05  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_Y2Sc2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   8.56
_cell_angle_alpha   90.0
_cell_angle_beta   108.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2Sc2Os
_chemical_formula_sum   'Y4 Sc4 Os2'
_cell_volume   241.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.29  1.0
  Y  Y1  2  0.0  0.0  0.49  1.0
  Sc  Sc2  4  0.46  0.46  0.87  1.0
  Os  Os3  2  0.0  0.0  0.0  1.0

Y Y Sc Sc Os
Y Y Sc Sc Os 0 1 o o o 2 3 - + o 2 4 o + o 3 4 + o o 