data_[Ta2Zn4Ga2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.6107]
_cell_length_b [5.7226]
_cell_length_c [5.3442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TaZn2GaN4]
_chemical_formula_sum '[Ta2 Zn4 Ga2 N8]'
_cell_volume [202.1734]
_cell_formula_units_Z [2]
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  2  0.0000  0.8336  0.0018  1.0
  Zn  Zn1  4  0.2497  0.6690  0.5009  1.0
  Ga  Ga2  2  0.0000  0.1727  0.5012  1.0
  N  N3  4  0.2498  0.6737  0.1126  1.0
  N  N4  2  0.0000  0.1520  0.1327  1.0
  N  N5  2  0.0000  0.8505  0.6372  1.0
]