data_SrIrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.42
_cell_length_b   10.42
_cell_length_c   10.42
_cell_angle_alpha   15.91
_cell_angle_beta   15.91
_cell_angle_gamma   15.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrIrW2
_chemical_formula_sum   'Sr1 Ir1 W2'
_cell_volume   74.08
_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
  Sr  Sr1  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.43  1.0
  W  W2  1  0.0  0.0  0.35  1.0
  W  W3  1  0.0  0.0  0.5  1.0

data_SrIrW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.0
_cell_length_b   2.88
_cell_length_c   10.42
_cell_angle_alpha   90.0
_cell_angle_beta   99.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrIrW2
_chemical_formula_sum   'Sr2 Ir2 W4'
_cell_volume   148.16
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.57  1.0
  W  W2  2  0.0  0.0  0.5  1.0
  W  W3  2  0.0  0.0  0.65  1.0

Sr Ir W W
Sr Ir W W 0 0 o + - 0 0 + - o 0 0 + o - 1 2 o o o 1 3 o o o 