data_[Ta2Zn4In2N8]
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
  In  1.7800  1.5500  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.8361]
_cell_length_b [5.8344]
_cell_length_c [5.4887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TaZn2InN4]
_chemical_formula_sum '[Ta2 Zn4 In2 N8]'
_cell_volume [218.9130]
_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  0.1762  0.9998  1.0
  Zn  Zn1  4  0.2492  0.6678  0.9988  1.0
  In  In2  2  0.0000  0.8295  0.4978  1.0
  N  N3  4  0.2339  0.3349  0.8763  1.0
  N  N4  2  0.0000  0.1814  0.3560  1.0
  N  N5  2  0.0000  0.8531  0.8962  1.0
]