data_[Fe6P6W6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8473]
_cell_length_b [3.7331]
_cell_length_c [10.0981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3425]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [FePW]
_chemical_formula_sum '[Fe6 P6 W6]'
_cell_volume [220.4232]
_cell_formula_units_Z [6]
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
[
  Fe  Fe0  2  0.0170  0.7500  0.0886  1
  Fe  Fe1  2  0.1400  0.7500  0.4570  1
  Fe  Fe2  2  0.3650  0.2500  0.7905  1
  P  P3  2  0.2338  0.2500  0.5823  1
  P  P4  2  0.2340  0.7500  0.9141  1
  P  P5  2  0.2682  0.7500  0.2505  1
  W  W6  2  0.0271  0.7500  0.7128  1
  W  W7  2  0.3490  0.2500  0.0803  1
  W  W8  2  0.4691  0.2500  0.3822  1
]