data_YBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   5.37
_cell_angle_alpha   102.12
_cell_angle_beta   102.12
_cell_angle_gamma   37.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiOs2
_chemical_formula_sum   'Y1 Bi1 Os2'
_cell_volume   80.34
_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
  Bi  Bi0  1  0.14  0.0  0.62  1.0
  Os  Os1  1  0.51  0.0  0.74  1.0
  Os  Os2  1  0.77  0.0  0.49  1.0

data_YBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   5.0
_cell_length_c   5.37
_cell_angle_alpha   102.12
_cell_angle_beta   90.0
_cell_angle_gamma   108.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBiOs2
_chemical_formula_sum   'Y1 Bi1 Os2'
_cell_volume   80.34
_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
  Bi  Bi1  1  0.0  0.86  0.38  1.0
  Os  Os2  1  0.0  0.23  0.51  1.0
  Os  Os3  1  0.0  0.49  0.26  1.0

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