data_[Ni16Mo4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Mo  2.1600  1.4500  0.7750
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0438]
_cell_length_b [14.0787]
_cell_length_c [4.0505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ni4MoRu]
_chemical_formula_sum '[Ni16 Mo4 Ru4]'
_cell_volume [287.6268]
_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
[
  Ni  Ni0  8  0.2466  0.0416  0.7500  1.0
  Ni  Ni1  8  0.2490  0.7918  0.2500  1.0
  Mo  Mo2  4  0.0000  0.3758  0.7500  1.0
  Ru  Ru3  4  0.0000  0.1252  0.2500  1.0
]