data_[Ta16Mn8Sb12N12]
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
  Sb  2.0500  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8940]
_cell_length_b [5.8191]
_cell_length_c [13.2706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3457]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Mn2(SbN)3]
_chemical_formula_sum '[Ta16 Mn8 Sb12 N12]'
_cell_volume [736.8031]
_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  0.1090  0.0947  0.0783  1
  Ta  Ta1  8  0.2306  0.0783  0.4229  1
  Mn  Mn2  8  0.0549  0.4071  0.9104  1
  Sb  Sb3  8  0.1642  0.4204  0.2496  1
  Sb  Sb4  4  0.0000  0.0803  0.7500  1
  N  N5  8  0.0829  0.7493  0.9995  1
  N  N6  4  0.2500  0.2500  0.0000  1
]