data_LaIrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   144.83
_cell_angle_beta   140.7
_cell_angle_gamma   53.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIrCl
_chemical_formula_sum   'La1 Ir1 Cl1'
_cell_volume   72.92
_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  La2  1  0.0  0.0  0.12  1.0
  Ir  Ir1  1  0.0  0.0  0.19  1.0
  Cl  Cl0  1  0.0  0.0  0.13  1.0

data_LaIrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.94
_cell_length_c   5.86
_cell_angle_alpha   109.65
_cell_angle_beta   107.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIrCl
_chemical_formula_sum   'La1 Ir1 Cl1'
_cell_volume   72.92
_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  0.12  0.12  1.0
  Ir  Ir1  1  0.0  0.19  0.19  1.0
  Cl  Cl2  1  0.0  0.13  0.13  1.0

La Ir Cl