data_[Mn16Ru4W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ru  2.2000  1.3000  0.6610
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [6.6294]
_cell_length_b [6.6294]
_cell_length_c [6.6294]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [Mn4RuW]
_chemical_formula_sum '[Mn16 Ru4 W4]'
_cell_volume [291.3491]
_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
[
  Mn  Mn0  16  0.1236  0.1236  0.6236  1.0
  Ru  Ru1  4  0.2500  0.2500  0.2500  1.0
  W  W2  4  0.0000  0.0000  0.0000  1.0
]