data_La3Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   133.27
_cell_angle_beta   133.27
_cell_angle_gamma   68.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Zn
_chemical_formula_sum   'La3 Zn1'
_cell_volume   120.95
_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  0.44  0.54  1.0
  La  La1  1  0.44  0.0  0.54  1.0
  La  La2  1  0.0  0.0  0.09  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

data_La3Zn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   124.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La3Zn
_chemical_formula_sum   'La6 Zn2'
_cell_volume   241.9
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.17  0.28  0.89  1.0
  La  La1  2  0.41  0.5  0.91  1.0
  Zn  Zn2  2  0.0  0.0  0.0  1.0

La La La Zn
La La La Zn 0 3 o + + 0 3 o o o 0 2 o + + 0 2 o o o 1 3 o o o 1 3 + o + 1 2 o o o 1 2 + o + 2 3 o o o 