data_YBSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   5.84
_cell_angle_alpha   137.5
_cell_angle_beta   137.5
_cell_angle_gamma   61.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBSb2
_chemical_formula_sum   'Y1 B1 Sb2'
_cell_volume   89.96
_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  0.12  0.51  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.12  0.0  0.51  1.0
  Sb  Sb2  1  0.0  0.0  0.02  1.0

data_YBSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.84
_cell_angle_alpha   111.25
_cell_angle_beta   111.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBSb2
_chemical_formula_sum   'Y1 B1 Sb2'
_cell_volume   89.96
_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  0.39  0.51  0.39  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.02  0.02  0.02  1.0
  Sb  Sb3  1  0.51  0.39  0.39  1.0

Y B Sb Sb
Y B Sb Sb 0 2 o o o 1 3 o o o 