data_Y2NbSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   135.12
_cell_angle_beta   135.12
_cell_angle_gamma   65.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbSb
_chemical_formula_sum   'Y2 Nb1 Sb1'
_cell_volume   98.72
_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  0.0  0.0  0.0  1.0
  Y  Y3  1  0.24  0.0  0.47  1.0
  Nb  Nb0  1  0.0  0.0  0.93  1.0
  Sb  Sb1  1  0.0  0.24  0.47  1.0

data_Y2NbSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   5.86
_cell_angle_alpha   112.44
_cell_angle_beta   112.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2NbSb
_chemical_formula_sum   'Y2 Nb1 Sb1'
_cell_volume   98.72
_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
  Y  Y1  1  0.53  0.0  0.77  1.0
  Nb  Nb2  1  0.07  0.0  0.07  1.0
  Sb  Sb3  1  0.77  0.24  0.77  1.0

Y Y Nb Sb
Y Y Nb Sb 0 2 o o - 1 3 o o o 