# generated using pymatgen
data_Ba5TaHN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.19239922
_cell_length_b   8.19239948
_cell_length_c   9.88777114
_cell_angle_alpha   77.11234280
_cell_angle_beta   77.11233746
_cell_angle_gamma   96.36265235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5TaHN4
_chemical_formula_sum   'Ba10 Ta2 H2 N8'
_cell_volume   621.54081748
_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  0.38233363  0.38233363  0.36670722  1.0
  Ba  Ba1  1  0.61766637  0.61766637  0.63329278  1.0
  Ba  Ba2  1  0.66286805  0.66286805  0.00527731  1.0
  Ba  Ba3  1  0.33713195  0.33713195  0.99472269  1.0
  Ba  Ba4  1  0.94521206  0.94521206  0.18693870  1.0
  Ba  Ba5  1  0.05478794  0.05478794  0.81306130  1.0
  Ba  Ba6  1  0.57005439  0.07421849  0.76443108  1.0
  Ba  Ba7  1  0.92578151  0.42994561  0.23556892  1.0
  Ba  Ba8  1  0.42994561  0.92578151  0.23556892  1.0
  Ba  Ba9  1  0.07421849  0.57005439  0.76443108  1.0
  Ta  Ta10  1  0.75290574  0.24709426  1.00000000  1.0
  Ta  Ta11  1  0.24709426  0.75290574  0.00000000  1.0
  H  H12  1  0.65936363  0.65936363  0.30991403  1.0
  H  H13  1  0.34063637  0.34063637  0.69008597  1.0
  N  N14  1  0.71281671  0.00797669  0.99839793  1.0
  N  N15  1  0.99202331  0.28718329  0.00160207  1.0
  N  N16  1  0.28718329  0.99202331  0.00160207  1.0
  N  N17  1  0.00797669  0.71281671  0.99839793  1.0
  N  N18  1  0.39366119  0.70980382  0.83093635  1.0
  N  N19  1  0.29019618  0.60633881  0.16906265  1.0
  N  N20  1  0.60633881  0.29019618  0.16906265  1.0
  N  N21  1  0.70980382  0.39366119  0.83093635  1.0