data_LaZn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   3.02
_cell_angle_alpha   93.09
_cell_angle_beta   93.09
_cell_angle_gamma   110.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2Re
_chemical_formula_sum   'La1 Zn2 Re1'
_cell_volume   74.96
_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  0.0  0.0  1.0
  Zn  Zn2  1  0.33  0.12  0.5  1.0
  Zn  Zn3  1  0.33  0.88  0.5  1.0
  Re  Re1  1  0.94  0.0  0.0  1.0

data_LaZn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   110.37
_cell_angle_beta   93.09
_cell_angle_gamma   93.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZn2Re
_chemical_formula_sum   'La1 Zn2 Re1'
_cell_volume   74.96
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.5  0.33  0.12  1.0
  Zn  Zn2  1  0.5  0.33  0.88  1.0
  Re  Re3  1  0.0  0.94  0.0  1.0

La Zn Zn Re
La Zn Zn Re 0 3 - o o 1 2 o - o 