data_LaIrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63
_cell_length_b   6.63
_cell_length_c   6.63
_cell_angle_alpha   152.24
_cell_angle_beta   152.24
_cell_angle_gamma   39.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaIrW
_chemical_formula_sum   'La1 Ir1 W1'
_cell_volume   63.01
_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  0.0  0.0  0.32  1.0
  Ir  Ir0  1  0.0  0.0  0.08  1.0
  W  W2  1  0.0  0.0  0.54  1.0

data_LaIrW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   6.63
_cell_angle_alpha   90.0
_cell_angle_beta   109.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaIrW
_chemical_formula_sum   'La2 Ir2 W2'
_cell_volume   126.03
_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  2  0.32  0.0  0.32  1.0
  Ir  Ir1  2  0.08  0.0  0.08  1.0
  W  W2  2  0.04  0.5  0.54  1.0

La Ir W
La Ir W 0 1 o o o 0 2 o o o 