data_[Lu16Ta8Fe12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ta  1.5000  1.4500  0.8200
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4457]
_cell_length_b [5.4745]
_cell_length_c [14.1096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3445]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Lu4Ta2(FeN)3]
_chemical_formula_sum '[Lu16 Ta8 Fe12 N12]'
_cell_volume [706.8622]
_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  8  0.1196  0.0793  0.0963  1
  Lu  Lu1  8  0.2128  0.0828  0.4038  1
  Ta  Ta2  8  0.0434  0.4189  0.8976  1
  Fe  Fe3  8  0.2410  0.6633  0.7479  1
  Fe  Fe4  4  0.0000  0.0929  0.2500  1
  N  N5  8  0.0748  0.2756  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]