data_Na2ZrNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   6.71
_cell_angle_alpha   94.73
_cell_angle_beta   94.73
_cell_angle_gamma   30.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrNb
_chemical_formula_sum   'Na2 Zr1 Nb1'
_cell_volume   98.21
_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  0.45  0.0  0.62  1.0
  Na  Na1  1  0.12  0.0  0.06  1.0
  Zr  Zr3  1  0.75  0.0  0.07  1.0
  Nb  Nb2  1  0.84  0.0  0.96  1.0

data_Na2ZrNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.39
_cell_length_c   6.71
_cell_angle_alpha   94.73
_cell_angle_beta   90.0
_cell_angle_gamma   105.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrNb
_chemical_formula_sum   'Na2 Zr1 Nb1'
_cell_volume   98.21
_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  0.55  0.38  1.0
  Na  Na1  1  0.0  0.88  0.94  1.0
  Zr  Zr2  1  0.0  0.25  0.93  1.0
  Nb  Nb3  1  0.0  0.16  0.04  1.0

Na Na Zr Nb