# generated using pymatgen
data_Ba4Re(HN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94033847
_cell_length_b   8.52317246
_cell_length_c   9.92962148
_cell_angle_alpha   85.94533071
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Re(HN2)2
_chemical_formula_sum   'Ba8 Re2 H4 N8'
_cell_volume   501.48364650
_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  0.75000000  0.27365862  0.25890647  1.0
  Ba  Ba1  1  0.75000000  0.02002726  0.63472161  1.0
  Ba  Ba2  1  0.75000000  0.46740086  0.65432136  1.0
  Ba  Ba3  1  0.75000000  0.79846017  0.05329517  1.0
  Ba  Ba4  1  0.25000000  0.97997274  0.36527839  1.0
  Ba  Ba5  1  0.25000000  0.53259914  0.34567864  1.0
  Ba  Ba6  1  0.25000000  0.20153983  0.94670483  1.0
  Ba  Ba7  1  0.25000000  0.72634138  0.74109353  1.0
  Re  Re8  1  0.75000000  0.75323909  0.39548435  1.0
  Re  Re9  1  0.25000000  0.24676091  0.60451565  1.0
  H  H10  1  0.25000000  0.25350658  0.21099144  1.0
  H  H11  1  0.75000000  0.74649342  0.78900856  1.0
  H  H12  1  0.25000000  0.88251923  0.07758466  1.0
  H  H13  1  0.75000000  0.11748077  0.92241534  1.0
  N  N14  1  0.25000000  0.05458929  0.70147762  1.0
  N  N15  1  0.00150083  0.26406274  0.49619872  1.0
  N  N16  1  0.50150083  0.73593726  0.50380128  1.0
  N  N17  1  0.99849917  0.73593726  0.50380128  1.0
  N  N18  1  0.75000000  0.59827670  0.27768525  1.0
  N  N19  1  0.75000000  0.94541071  0.29852238  1.0
  N  N20  1  0.49849917  0.26406274  0.49619872  1.0
  N  N21  1  0.25000000  0.40172330  0.72231475  1.0