# generated using pymatgen
data_Ba2TcNiN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93824926
_cell_length_b   6.47625639
_cell_length_c   7.86551334
_cell_angle_alpha   66.87638277
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2TcNiN4
_chemical_formula_sum   'Ba4 Tc2 Ni2 N8'
_cell_volume   278.18690573
_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
  Ba  Ba0  1  0.25000000  0.26722275  0.04938596  1.0
  Ba  Ba1  1  0.75000000  0.73277725  0.95061404  1.0
  Ba  Ba2  1  0.75000000  0.84315624  0.40526452  1.0
  Ba  Ba3  1  0.25000000  0.15684376  0.59473548  1.0
  Tc  Tc4  1  0.25000000  0.68669105  0.22255723  1.0
  Tc  Tc5  1  0.75000000  0.31330895  0.77744277  1.0
  Ni  Ni6  1  0.75000000  0.35700389  0.39266286  1.0
  Ni  Ni7  1  0.25000000  0.64299611  0.60733714  1.0
  N  N8  1  0.50416276  0.49571603  0.72677480  1.0
  N  N9  1  0.00416276  0.50428397  0.27322520  1.0
  N  N10  1  0.49583724  0.50428397  0.27322520  1.0
  N  N11  1  0.99583724  0.49571603  0.72677480  1.0
  N  N12  1  0.75000000  0.13886939  0.63302050  1.0
  N  N13  1  0.25000000  0.86113061  0.36697950  1.0
  N  N14  1  0.75000000  0.13192602  0.01626305  1.0
  N  N15  1  0.25000000  0.86807398  0.98373695  1.0