data_[Ta12Cu8N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4_132]
_cell_length_a [6.9145]
_cell_length_b [6.9145]
_cell_length_c [6.9145]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [213]
_chemical_formula_structural [Ta3Cu2N]
_chemical_formula_sum '[Ta12 Cu8 N4]'
_cell_volume [330.5779]
_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
[
  Ta  Ta0  12  0.0433  0.8750  0.7067  1
  Cu  Cu1  8  0.0708  0.0708  0.0708  1
  N  N2  4  0.1250  0.6250  0.8750  1
]