data_[Ba4Nd4Ta4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9262]
_cell_length_b [4.1023]
_cell_length_c [7.8091]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4886]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNdTaN3]
_chemical_formula_sum '[Ba4 Nd4 Ta4 N12]'
_cell_volume [429.9238]
_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
[
  Ba  Ba0  4  0.1473  0.5000  0.0749  1
  Nd  Nd1  4  0.1576  0.5000  0.5789  1
  Ta  Ta2  4  0.0020  0.0000  0.3041  1
  N  N3  4  0.0049  0.5000  0.3130  1
  N  N4  4  0.1474  0.0000  0.7990  1
  N  N5  4  0.1572  0.0000  0.3467  1
]