data_[Ta8Cr16Ga12N12]
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
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8776]
_cell_length_b [5.1434]
_cell_length_c [12.7689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Cr4(GaN)3]
_chemical_formula_sum '[Ta8 Cr16 Ga12 N12]'
_cell_volume [566.9123]
_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  0.0523  0.4134  0.3939  1
  Cr  Cr1  8  0.1094  0.0744  0.5775  1
  Cr  Cr2  8  0.2198  0.0888  0.9228  1
  Ga  Ga3  8  0.2088  0.3724  0.7485  1
  Ga  Ga4  4  0.0000  0.0005  0.7500  1
  N  N5  8  0.0800  0.2586  0.0002  1
  N  N6  4  0.2500  0.2500  0.5000  1
]