data_[Mo4Ir4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mo  2.1600  1.4500  0.7750
  Ir  2.2000  1.3500  0.7650
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.6956]
_cell_length_b [3.9155]
_cell_length_c [5.6070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MoIrPd]
_chemical_formula_sum '[Mo4 Ir4 Pd4]'
_cell_volume [181.5567]
_cell_formula_units_Z [4]
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  4  0.1645  0.0000  0.0960  1
  Ir  Ir1  4  0.0112  0.5000  0.7676  1
  Pd  Pd2  4  0.1690  0.0000  0.5862  1
]