data_La4Ir5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.21
_cell_length_b   7.21
_cell_length_c   7.21
_cell_angle_alpha   94.93
_cell_angle_beta   94.93
_cell_angle_gamma   145.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La4Ir5
_chemical_formula_sum   'La4 Ir5'
_cell_volume   201.23
_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  La5  1  0.79  0.0  0.0  1.0
  La  La6  1  0.96  0.0  0.0  1.0
  La  La7  1  0.0  0.79  0.0  1.0
  La  La8  1  0.0  0.96  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.3  0.3  0.0  1.0
  Ir  Ir2  1  0.58  0.58  0.11  1.0
  Ir  Ir3  1  0.58  0.42  0.11  1.0
  Ir  Ir4  1  0.42  0.58  0.11  1.0

data_La4Ir5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.23
_cell_length_b   13.8
_cell_length_c   7.21
_cell_angle_alpha   90.0
_cell_angle_beta   107.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La4Ir5
_chemical_formula_sum   'La8 Ir10'
_cell_volume   402.45
_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  0.02  0.98  -0.0  1.0
  La  La1  4  0.1  0.9  -0.0  1.0
  Ir  Ir2  4  -0.0  0.42  0.89  1.0
  Ir  Ir3  2  0.0  0.0  0.0  1.0
  Ir  Ir4  2  0.2  0.5  0.0  1.0
  Ir  Ir5  2  0.42  0.0  0.89  1.0

La La La La Ir Ir Ir Ir Ir