data_La2PIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   13.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2PIr2
_chemical_formula_sum   'La4 P2 Ir4'
_cell_volume   236.69
_cell_formula_units_Z   2
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  La4  1  0.0  0.0  0.0  1.0
  La  La5  1  0.08  0.08  0.0  1.0
  La  La6  1  0.08  0.0  0.87  1.0
  La  La7  1  0.0  0.08  0.8  1.0
  P  P8  1  0.08  0.0  0.33  1.0
  P  P9  1  0.0  0.08  0.33  1.0
  Ir  Ir0  1  0.0  0.0  0.83  1.0
  Ir  Ir1  1  0.08  0.08  0.83  1.0
  Ir  Ir2  1  0.08  0.0  0.12  1.0
  Ir  Ir3  1  0.0  0.08  0.55  1.0

data_La2PIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.89
_cell_length_b   5.89
_cell_length_c   13.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2PIr2
_chemical_formula_sum   'La8 P4 Ir8'
_cell_volume   473.38
_cell_formula_units_Z   4
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  0.04  0.04  0.0  1.0
  La  La1  2  0.0  0.0  0.8  1.0
  La  La2  2  0.08  0.0  0.87  1.0
  P  P3  2  0.0  0.0  0.33  1.0
  P  P4  2  0.08  0.0  0.33  1.0
  Ir  Ir5  4  0.04  0.04  0.83  1.0
  Ir  Ir6  2  0.0  0.0  0.55  1.0
  Ir  Ir7  2  0.08  0.0  0.12  1.0

La La La La P P Ir Ir Ir Ir
La La La La P P Ir Ir Ir Ir 0 1 o o o 0 8 o o o 1 8 o o o 2 6 o o o 2 7 o o o 3 6 o o o 3 7 o o o 3 9 o o o 4 5 o o o 4 9 o o o 5 9 o o o 6 7 o o o 