data_LaZrZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrZn
_chemical_formula_sum   'La1 Zr1 Zn1'
_cell_volume   74.73
_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  0.48  0.43  0.01  1.0
  Zr  Zr2  1  0.0  0.86  0.9  1.0
  Zn  Zn1  1  0.0  0.0  0.6  1.0

data_LaZrZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZrZn
_chemical_formula_sum   'La1 Zr1 Zn1'
_cell_volume   74.73
_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  0.01  0.48  0.43  1.0
  Zr  Zr1  1  0.9  0.0  0.86  1.0
  Zn  Zn2  1  0.6  0.0  0.0  1.0

La Zr Zn
La Zr Zn 0 2 o o - 0 2 o o o 0 2 + + - 0 1 o - - 0 1 + o - 1 2 o + o 