data_MoIr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   131.98
_cell_angle_beta   131.98
_cell_angle_gamma   70.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoIr2W
_chemical_formula_sum   'Mo1 Ir2 W1'
_cell_volume   60.77
_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
  Mo  Mo2  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.94  1.0
  Ir  Ir1  1  0.0  0.96  0.97  1.0
  W  W3  1  0.96  0.0  0.97  1.0

data_MoIr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   4.82
_cell_angle_alpha   114.01
_cell_angle_beta   114.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoIr2W
_chemical_formula_sum   'Mo1 Ir2 W1'
_cell_volume   60.77
_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
  Mo  Mo0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.01  0.97  0.01  1.0
  Ir  Ir2  1  0.94  0.94  0.94  1.0
  W  W3  1  0.97  0.01  0.01  1.0

Mo Ir Ir W
Mo Ir Ir W 0 3 - o - 0 2 o - - 0 1 o o - 1 3 - o o 1 2 o - o 