data_La5Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Ir
_chemical_formula_sum   'La5 Ir1'
_cell_volume   176.3
_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  La1  1  0.89  0.55  0.73  1.0
  La  La2  1  0.84  0.73  0.73  1.0
  La  La3  1  0.31  0.0  0.73  1.0
  La  La4  1  0.05  0.76  0.0  1.0
  La  La5  1  0.0  0.52  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0

data_La5Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.47
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La5Ir
_chemical_formula_sum   'La5 Ir1'
_cell_volume   176.3
_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  0.52  1.0
  La  La1  1  0.0  0.05  0.76  1.0
  La  La2  1  0.73  0.31  0.0  1.0
  La  La3  1  0.73  0.84  0.73  1.0
  La  La4  1  0.73  0.89  0.55  1.0
  Ir  Ir5  1  0.0  0.0  0.0  1.0

La La La La La Ir
La La La La La Ir 0 1 o o o 0 2 + + o 1 2 + + o 2 3 o - + 2 5 o o + 3 4 o o o 3 5 o + o 