data_LaNbZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   3.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbZn2
_chemical_formula_sum   'La1 Nb1 Zn2'
_cell_volume   79.37
_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
  La  La0  1  0.04  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.52  0.12  0.54  1.0
  Zn  Zn3  1  0.52  0.88  0.54  1.0

data_LaNbZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   108.77
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbZn2
_chemical_formula_sum   'La1 Nb1 Zn2'
_cell_volume   79.37
_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
  La  La0  1  0.0  0.04  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.54  0.52  0.12  1.0
  Zn  Zn3  1  0.54  0.52  0.88  1.0

La Nb Zn Zn