# generated using pymatgen
data_Ba2MoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67888917
_cell_length_b   11.88056270
_cell_length_c   13.39120838
_cell_angle_alpha   89.99999900
_cell_angle_beta   90.00329413
_cell_angle_gamma   152.79939275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MoN3
_chemical_formula_sum   'Ba8 Mo4 N12'
_cell_volume   485.71243221
_cell_formula_units_Z   4
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  0.49970600  0.06216500  0.86475800  1.0
  Ba  Ba1  1  0.50029400  0.56246000  0.63524200  1.0
  Ba  Ba2  1  0.50029400  0.93783500  0.13524200  1.0
  Ba  Ba3  1  0.49970600  0.43754000  0.36475800  1.0
  Ba  Ba4  1  0.50119100  0.85940700  0.58555300  1.0
  Ba  Ba5  1  0.49880900  0.35821600  0.91444700  1.0
  Ba  Ba6  1  0.49880900  0.14059300  0.41444700  1.0
  Ba  Ba7  1  0.50119100  0.64178400  0.08555300  1.0
  Mo  Mo8  1  0.50069700  0.24062800  0.66214700  1.0
  Mo  Mo9  1  0.49930300  0.73993100  0.83785300  1.0
  Mo  Mo10  1  0.49930300  0.75937200  0.33785300  1.0
  Mo  Mo11  1  0.50069700  0.26006900  0.16214700  1.0
  N  N12  1  0.00000000  0.51865000  0.75000000  1.0
  N  N13  1  0.00000000  0.48135000  0.25000000  1.0
  N  N14  1  0.50467700  0.09154700  0.62493900  1.0
  N  N15  1  0.49532300  0.58687000  0.87506100  1.0
  N  N16  1  0.49532300  0.90845300  0.37506100  1.0
  N  N17  1  0.50467700  0.41313000  0.12493900  1.0
  N  N18  1  0.49788600  0.15905600  0.05221200  1.0
  N  N19  1  0.50211400  0.66117000  0.44778800  1.0
  N  N20  1  0.50211400  0.84094400  0.94778800  1.0
  N  N21  1  0.49788600  0.33883000  0.55221200  1.0
  N  N22  1  0.00000000  0.01692100  0.75000000  1.0
  N  N23  1  0.00000000  0.98307900  0.25000000  1.0