data_ZrIrW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   147.58
_cell_angle_beta   139.5
_cell_angle_gamma   52.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIrW
_chemical_formula_sum   'Zr1 Ir1 W1'
_cell_volume   52.43
_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
  Zr  Zr2  1  0.0  0.0  0.2  1.0
  Ir  Ir0  1  0.0  0.0  0.09  1.0
  W  W1  1  0.0  0.0  0.25  1.0

data_ZrIrW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.69
_cell_length_c   5.33
_cell_angle_alpha   110.25
_cell_angle_beta   106.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrIrW
_chemical_formula_sum   'Zr1 Ir1 W1'
_cell_volume   52.43
_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
  Zr  Zr0  1  0.0  0.2  0.2  1.0
  Ir  Ir1  1  0.0  0.09  0.09  1.0
  W  W2  1  0.0  0.25  0.25  1.0

Zr Ir W