data_Y2BOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   5.92
_cell_angle_alpha   105.52
_cell_angle_beta   105.52
_cell_angle_gamma   49.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BOs
_chemical_formula_sum   'Y2 B1 Os1'
_cell_volume   81.7
_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  Y2  1  0.75  0.0  0.34  1.0
  Y  Y3  1  0.45  0.0  0.31  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.1  0.0  0.83  1.0

data_Y2BOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   4.37
_cell_length_c   5.92
_cell_angle_alpha   105.52
_cell_angle_beta   90.0
_cell_angle_gamma   114.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BOs
_chemical_formula_sum   'Y2 B1 Os1'
_cell_volume   81.7
_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  0.25  0.66  1.0
  Y  Y1  1  0.0  0.55  0.69  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.9  0.17  1.0

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