data_Y3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42
_cell_length_b   9.11
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Os
_chemical_formula_sum   'Y12 Os4'
_cell_volume   429.84
_cell_formula_units_Z   4
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  Y4  1  0.3  0.28  0.53  1.0
  Y  Y5  1  0.3  0.58  0.12  1.0
  Y  Y6  1  0.3  0.98  0.12  1.0
  Y  Y7  1  0.42  0.13  0.29  1.0
  Y  Y8  1  0.42  0.53  0.29  1.0
  Y  Y9  1  0.41  0.83  0.35  1.0
  Y  Y10  1  0.01  0.28  0.0  1.0
  Y  Y11  1  0.01  0.58  0.06  1.0
  Y  Y12  1  0.01  0.98  0.06  1.0
  Y  Y13  1  0.13  0.13  0.24  1.0
  Y  Y14  1  0.13  0.53  0.24  1.0
  Y  Y15  1  0.12  0.83  0.83  1.0
  Os  Os0  1  0.87  0.83  0.43  1.0
  Os  Os1  1  0.84  0.28  0.25  1.0
  Os  Os2  1  0.58  0.83  0.11  1.0
  Os  Os3  1  0.55  0.28  0.93  1.0

data_Y3Os
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.36
_cell_length_b   7.42
_cell_length_c   9.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Y3Os
_chemical_formula_sum   'Y12 Os4'
_cell_volume   429.84
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.06  0.92  0.08  1.0
  Y  Y1  2  0.06  0.92  0.48  1.0
  Y  Y2  2  0.12  0.2  0.08  1.0
  Y  Y3  2  0.12  0.2  0.48  1.0
  Y  Y4  2  0.17  0.2  0.78  1.0
  Y  Y5  2  0.35  0.09  0.22  1.0
  Os  Os6  2  0.07  0.63  0.22  1.0
  Os  Os7  2  0.25  0.66  0.78  1.0

Y Y Y Y Y Y Y Y Y Y Y Y Os Os Os Os
Y Y Y Y Y Y Y Y Y Y Y Y Os Os Os Os 0 9 o o o 0 3 o o o 0 15 o o o 1 10 o o o 1 4 o o o 1 15 o o - 2 8 o o o 2 9 o + o 2 5 o o o 2 3 o + o 2 11 o o - 2 15 o + - 3 9 o o o 3 15 o o - 4 15 o o - 5 14 o o o 5 12 o o o 6 13 - o o 6 9 o o o 6 15 - o - 7 10 o o o 7 12 - o o 8 11 o o - 8 9 o + o 8 12 - o o 9 12 - - o 10 12 - o o 11 12 - o o 12 14 o o o 13 15 o o - 