data_NaZr2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   6.09
_cell_angle_alpha   97.48
_cell_angle_beta   97.48
_cell_angle_gamma   33.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Bi
_chemical_formula_sum   'Na1 Zr2 Bi1'
_cell_volume   102.17
_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  1.0  0.0  0.49  1.0
  Zr  Zr2  1  0.13  0.0  0.21  1.0
  Zr  Zr3  1  0.67  0.0  0.4  1.0
  Bi  Bi0  1  0.78  0.0  0.95  1.0

data_NaZr2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   5.52
_cell_length_c   6.09
_cell_angle_alpha   97.48
_cell_angle_beta   90.0
_cell_angle_gamma   106.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Bi
_chemical_formula_sum   'Na1 Zr2 Bi1'
_cell_volume   102.17
_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  0.51  1.0
  Zr  Zr1  1  0.0  0.33  0.6  1.0
  Zr  Zr2  1  0.0  0.87  0.79  1.0
  Bi  Bi3  1  0.0  0.22  0.05  1.0

Na Zr Zr Bi