data_NaYSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   125.47
_cell_angle_beta   125.47
_cell_angle_gamma   80.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYSb2
_chemical_formula_sum   'Na1 Y1 Sb2'
_cell_volume   107.73
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.0  0.21  1.0
  Sb  Sb1  1  0.53  0.0  0.1  1.0
  Sb  Sb2  1  0.0  0.53  0.1  1.0

data_NaYSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   130.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaYSb2
_chemical_formula_sum   'Na2 Y2 Sb4'
_cell_volume   215.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Y  Y1  2  0.29  0.5  0.79  1.0
  Sb  Sb2  4  0.16  0.27  0.43  1.0

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