data_Na2LaSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   141.96
_cell_angle_beta   140.07
_cell_angle_gamma   56.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaSb
_chemical_formula_sum   'Na2 La1 Sb1'
_cell_volume   129.31
_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  Na1  1  0.25  0.0  0.94  1.0
  Na  Na2  1  0.0  0.36  0.15  1.0
  La  La0  1  0.0  0.0  0.09  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

data_Na2LaSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.72
_cell_length_c   6.91
_cell_angle_alpha   109.97
_cell_angle_beta   109.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaSb
_chemical_formula_sum   'Na2 La1 Sb1'
_cell_volume   129.31
_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  0.94  0.68  1.0
  Na  Na1  1  0.64  0.8  0.8  1.0
  La  La2  1  0.0  0.09  0.09  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Na Na La Sb
Na Na La Sb 0 3 o o + 0 1 o o + 1 3 o o o 1 2 o o o 2 3 o o o 