data_[Ta8Mn16Al12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7418]
_cell_length_b [5.0486]
_cell_length_c [12.7444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Mn4(AlN)3]
_chemical_formula_sum '[Ta8 Mn16 Al12 N12]'
_cell_volume [547.3567]
_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  8  0.0468  0.4144  0.8860  1
  Mn  Mn1  8  0.1097  0.0794  0.0808  1
  Mn  Mn2  8  0.2213  0.0876  0.4192  1
  Al  Al3  8  0.2404  0.3439  0.2493  1
  Al  Al4  4  0.0000  0.0657  0.2500  1
  N  N5  8  0.0790  0.2630  0.5000  1
  N  N6  4  0.2500  0.2500  0.0000  1
]