# generated using pymatgen
data_Ba2CoTcN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.89720639
_cell_length_b   6.50329999
_cell_length_c   7.90750040
_cell_angle_alpha   66.43770428
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2CoTcN4
_chemical_formula_sum   'Ba4 Co2 Tc2 N8'
_cell_volume   277.97868953
_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  0.26390274  0.05039342  1.0
  Ba  Ba1  1  0.75000000  0.73609726  0.94960658  1.0
  Ba  Ba2  1  0.75000000  0.84412400  0.40146257  1.0
  Ba  Ba3  1  0.25000000  0.15587600  0.59853743  1.0
  Co  Co4  1  0.75000000  0.35261466  0.39459090  1.0
  Co  Co5  1  0.25000000  0.64738534  0.60540910  1.0
  Tc  Tc6  1  0.25000000  0.68170686  0.22465122  1.0
  Tc  Tc7  1  0.75000000  0.31829314  0.77534878  1.0
  N  N8  1  0.49771215  0.49974309  0.72348041  1.0
  N  N9  1  0.99771215  0.50025691  0.27651959  1.0
  N  N10  1  0.50228785  0.50025691  0.27651959  1.0
  N  N11  1  0.00228785  0.49974309  0.72348041  1.0
  N  N12  1  0.75000000  0.14549033  0.62889362  1.0
  N  N13  1  0.25000000  0.85450967  0.37110638  1.0
  N  N14  1  0.75000000  0.13515433  0.01327770  1.0
  N  N15  1  0.25000000  0.86484567  0.98672230  1.0