data_YMoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   136.29
_cell_angle_beta   136.29
_cell_angle_gamma   63.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMoOs2
_chemical_formula_sum   'Y1 Mo1 Os2'
_cell_volume   69.89
_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
  Mo  Mo0  1  0.97  0.0  0.25  1.0
  Os  Os1  1  0.0  0.0  0.5  1.0
  Os  Os2  1  0.0  0.97  0.25  1.0

data_YMoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   5.29
_cell_angle_alpha   111.86
_cell_angle_beta   111.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMoOs2
_chemical_formula_sum   'Y1 Mo1 Os2'
_cell_volume   69.89
_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
  Mo  Mo1  1  0.25  0.28  0.28  1.0
  Os  Os2  1  0.28  0.25  0.28  1.0
  Os  Os3  1  0.5  0.5  0.5  1.0

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