data_[Ta8Cr16Si12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.5266]
_cell_length_b [5.0284]
_cell_length_c [12.5414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Cr4(SiN)3]
_chemical_formula_sum '[Ta8 Cr16 Si12 N12]'
_cell_volume [523.3992]
_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  0.0454  0.4159  0.3801  1
  Cr  Cr1  8  0.1107  0.0702  0.5859  1
  Cr  Cr2  8  0.2144  0.0805  0.9137  1
  Si  Si3  8  0.2342  0.3421  0.7496  1
  Si  Si4  4  0.0000  0.0425  0.7500  1
  N  N5  8  0.0775  0.2668  0.9997  1
  N  N6  4  0.2500  0.2500  0.5000  1
]