data_YOs3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   3.86
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YOs3
_chemical_formula_sum   'Y1 Os3'
_cell_volume   68.9
_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
  Os  Os0  1  0.41  0.93  0.45  1.0
  Os  Os1  1  0.41  0.93  0.9  1.0
  Os  Os2  1  0.0  0.0  0.17  1.0

data_YOs3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   3.86
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YOs3
_chemical_formula_sum   'Y1 Os3'
_cell_volume   68.9
_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
  Os  Os1  1  0.0  0.0  0.17  1.0
  Os  Os2  1  0.41  0.93  0.45  1.0
  Os  Os3  1  0.41  0.93  0.9  1.0

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