data_[Lu4W4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Ama2]
_cell_length_a [3.7011]
_cell_length_b [14.6420]
_cell_length_c [5.3292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [40]
_chemical_formula_structural [LuWN3]
_chemical_formula_sum '[Lu4 W4 N12]'
_cell_volume [288.7953]
_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
[
  Lu  Lu0  4  0.2500  0.1709  0.2398  1.0
  W  W1  4  0.2500  0.4102  0.2892  1.0
  N  N2  4  0.2500  0.0559  0.8885  1.0
  N  N3  4  0.2500  0.2995  0.4665  1.0
  N  N4  4  0.2500  0.3840  0.9563  1.0
]