data_Ir2PtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   131.07
_cell_angle_beta   131.07
_cell_angle_gamma   71.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2PtW
_chemical_formula_sum   'Ir2 Pt1 W1'
_cell_volume   60.28
_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
  Ir  Ir0  1  0.0  0.97  0.93  1.0
  Ir  Ir1  1  0.97  0.0  0.93  1.0
  Pt  Pt2  1  0.0  0.0  0.86  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Ir2PtW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   125.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ir2PtW
_chemical_formula_sum   'Ir4 Pt2 W2'
_cell_volume   120.56
_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
  Ir  Ir0  4  0.01  0.01  0.96  1.0
  Pt  Pt1  2  0.0  0.0  0.86  1.0
  W  W2  2  0.0  0.0  0.0  1.0

Ir Ir Pt W