data_[Mn4Pd16W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pd  2.2000  1.4000  0.8462
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.0151]
_cell_length_b [10.5818]
_cell_length_c [4.0969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mn2Pd8W]
_chemical_formula_sum '[Mn4 Pd16 W2]'
_cell_volume [347.4733]
_cell_formula_units_Z [2]
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  4  0.0000  0.3774  0.0000  1
  Pd  Pd1  8  0.1715  0.1307  0.0000  1
  Pd  Pd2  4  0.0000  0.2478  0.5000  1
  Pd  Pd3  4  0.1676  0.5000  0.5000  1
  W  W4  2  0.0000  0.0000  0.5000  1
]