data_NaZrBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32
_cell_length_b   5.48
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   101.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrBi2
_chemical_formula_sum   'Na1 Zr1 Bi2'
_cell_volume   106.77
_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  Na2  1  0.74  0.0  0.53  1.0
  Zr  Zr3  1  0.21  0.74  0.75  1.0
  Bi  Bi0  1  0.09  0.0  0.38  1.0
  Bi  Bi1  1  0.29  0.74  0.01  1.0

data_NaZrBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.48
_cell_length_c   5.99
_cell_angle_alpha   90.0
_cell_angle_beta   101.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZrBi2
_chemical_formula_sum   'Na1 Zr1 Bi2'
_cell_volume   106.77
_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  0.74  0.0  0.53  1.0
  Zr  Zr1  1  0.21  0.74  0.75  1.0
  Bi  Bi2  1  0.09  0.0  0.38  1.0
  Bi  Bi3  1  0.29  0.74  0.01  1.0

Na Zr Bi Bi