data_LaIrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.26
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   93.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIrW2
_chemical_formula_sum   'La1 Ir1 W2'
_cell_volume   78.22
_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  0.21  0.0  0.79  1.0
  Ir  Ir0  1  0.8  0.63  0.5  1.0
  W  W2  1  0.03  0.63  0.4  1.0
  W  W3  1  0.26  0.0  0.95  1.0

data_LaIrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.26
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   93.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIrW2
_chemical_formula_sum   'La1 Ir1 W2'
_cell_volume   78.22
_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  0.21  0.0  0.79  1.0
  Ir  Ir1  1  0.8  0.63  0.5  1.0
  W  W2  1  0.03  0.63  0.4  1.0
  W  W3  1  0.26  0.0  0.95  1.0

La Ir W W
La Ir W W 0 3 o o o 1 2 + o o 