data_La4Zn5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   7.19
_cell_angle_alpha   96.56
_cell_angle_beta   96.56
_cell_angle_gamma   140.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Zn5
_chemical_formula_sum   'La4 Zn5'
_cell_volume   222.56
_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  0.98  0.0  0.0  1.0
  La  La1  1  0.59  0.0  0.0  1.0
  La  La2  1  0.0  0.98  0.0  1.0
  La  La3  1  0.0  0.59  0.0  1.0
  Zn  Zn4  1  0.0  0.0  0.0  1.0
  Zn  Zn5  1  0.4  0.4  0.0  1.0
  Zn  Zn6  1  0.39  0.39  0.43  1.0
  Zn  Zn7  1  0.39  0.61  0.43  1.0
  Zn  Zn8  1  0.61  0.39  0.43  1.0

data_La4Zn5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   13.53
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   109.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La4Zn5
_chemical_formula_sum   'La8 Zn10'
_cell_volume   445.12
_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  0.01  0.01  0.0  1.0
  La  La1  4  0.21  0.21  0.0  1.0
  Zn  Zn2  4  0.0  0.39  0.57  1.0
  Zn  Zn3  2  0.0  0.0  0.0  1.0
  Zn  Zn4  2  0.1  0.5  0.0  1.0
  Zn  Zn5  2  0.11  0.5  0.57  1.0

La La La La Zn Zn Zn Zn Zn
La La La La Zn Zn Zn Zn Zn 0 4 + o o 0 1 o o o 0 3 + - o 0 5 + o o 1 3 o - o 1 3 + o o 1 2 + - o 1 4 + o o 2 4 o + o 2 3 o o o 2 5 o + o 3 4 o + o 4 5 o o o 6 7 o o o 6 8 o o o 