data_Y4Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   104.58
_cell_angle_beta   104.58
_cell_angle_gamma   119.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Os
_chemical_formula_sum   'Y4 Os1'
_cell_volume   136.58
_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  Y1  1  0.41  0.28  0.0  1.0
  Y  Y2  1  0.28  0.52  0.0  1.0
  Y  Y3  1  0.05  0.18  0.84  1.0
  Y  Y4  1  0.18  0.95  0.84  1.0
  Os  Os0  1  0.0  0.0  0.0  1.0

data_Y4Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   104.58
_cell_angle_beta   104.58
_cell_angle_gamma   119.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Os
_chemical_formula_sum   'Y4 Os1'
_cell_volume   136.58
_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  0.59  0.72  0.0  1.0
  Y  Y1  1  0.66  0.9  0.84  1.0
  Y  Y2  1  0.72  0.48  0.0  1.0
  Y  Y3  1  0.79  0.66  0.84  1.0
  Os  Os4  1  0.0  0.0  0.0  1.0

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