data_LaAl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   4.33
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   99.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2Zn
_chemical_formula_sum   'La1 Al2 Zn1'
_cell_volume   87.87
_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  La2  1  0.03  0.0  0.21  1.0
  Al  Al0  1  0.5  0.17  0.24  1.0
  Al  Al1  1  0.55  0.17  0.17  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_LaAl2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.33
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   99.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaAl2Zn
_chemical_formula_sum   'La1 Al2 Zn1'
_cell_volume   87.87
_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  0.03  0.0  0.21  1.0
  Al  Al1  1  0.5  0.17  0.24  1.0
  Al  Al2  1  0.55  0.17  0.17  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

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