# generated using pymatgen
data_La3IrCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.36415262
_cell_length_b   10.36415224
_cell_length_c   10.36415239
_cell_angle_alpha   109.47122093
_cell_angle_beta   109.47122018
_cell_angle_gamma   109.47122183
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3IrCl3
_chemical_formula_sum   'La12 Ir4 Cl12'
_cell_volume   856.99734526
_cell_formula_units_Z   4
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  0.47740900  0.48870450  0.23870450  1.0
  La  La1  1  0.75000000  0.23870450  0.26129550  1.0
  La  La2  1  0.75000000  0.01129550  0.48870450  1.0
  La  La3  1  0.23870450  0.47740900  0.48870450  1.0
  La  La4  1  0.26129550  0.75000000  0.23870450  1.0
  La  La5  1  0.02259100  0.26129550  0.01129550  1.0
  La  La6  1  0.01129550  0.02259100  0.26129550  1.0
  La  La7  1  0.48870450  0.75000000  0.01129550  1.0
  La  La8  1  0.48870450  0.23870450  0.47740900  1.0
  La  La9  1  0.01129550  0.48870450  0.75000000  1.0
  La  La10  1  0.26129550  0.01129550  0.02259100  1.0
  La  La11  1  0.23870450  0.26129550  0.75000000  1.0
  Ir  Ir12  1  0.25000000  0.25000000  0.25000000  1.0
  Ir  Ir13  1  0.50000000  0.00000000  0.25000000  1.0
  Ir  Ir14  1  0.00000000  0.25000000  0.50000000  1.0
  Ir  Ir15  1  0.25000000  0.50000000  0.00000000  1.0
  Cl  Cl16  1  0.25000000  0.75156458  0.74843542  1.0
  Cl  Cl17  1  0.50312916  0.50156458  0.75156458  1.0
  Cl  Cl18  1  0.99687084  0.74843542  0.99843542  1.0
  Cl  Cl19  1  0.74843542  0.25000000  0.75156458  1.0
  Cl  Cl20  1  0.99843542  0.99687084  0.74843542  1.0
  Cl  Cl21  1  0.25000000  0.99843542  0.50156458  1.0
  Cl  Cl22  1  0.75156458  0.50312916  0.50156458  1.0
  Cl  Cl23  1  0.50156458  0.25000000  0.99843542  1.0
  Cl  Cl24  1  0.75156458  0.74843542  0.25000000  1.0
  Cl  Cl25  1  0.74843542  0.99843542  0.99687084  1.0
  Cl  Cl26  1  0.99843542  0.50156458  0.25000000  1.0
  Cl  Cl27  1  0.50156458  0.75156458  0.50312916  1.0