data_[Mn6Ni45W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9918]
_cell_length_b [7.9918]
_cell_length_c [12.2675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Mn2Ni15W2]
_chemical_formula_sum '[Mn6 Ni45 W6]'
_cell_volume [678.5456]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.0997  1
  Ni  Ni1  18  0.0000  0.3183  0.0000  1
  Ni  Ni2  18  0.0062  0.5031  0.1561  1
  Ni  Ni3  9  0.0000  0.5000  0.5000  1
  W  W4  6  0.0000  0.0000  0.3030  1
]