data_YBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.85
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiOs2
_chemical_formula_sum   'Y1 Bi1 Os2'
_cell_volume   86.41
_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  0.29  1.0
  Bi  Bi0  1  0.51  0.93  0.89  1.0
  Os  Os1  1  0.0  0.0  0.48  1.0
  Os  Os2  1  0.51  0.93  0.46  1.0

data_YBiOs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.85
_cell_length_b   3.03
_cell_length_c   7.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YBiOs2
_chemical_formula_sum   'Y1 Bi1 Os2'
_cell_volume   86.41
_cell_formula_units_Z   1
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  1  0.0  0.0  0.29  1.0
  Bi  Bi1  1  0.93  0.5  0.89  1.0
  Os  Os2  1  0.0  0.0  0.48  1.0
  Os  Os3  1  0.93  0.5  0.46  1.0

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