# generated using pymatgen
data_Ba5LiMo2N7Cl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14335200
_cell_length_b   11.26939489
_cell_length_c   11.38412096
_cell_angle_alpha   95.54320922
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba5LiMo2N7Cl2
_chemical_formula_sum   'Ba10 Li2 Mo4 N14 Cl4'
_cell_volume   784.45821534
_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  0.01761200  0.36857600  1
  Ba  Ba1  1  0.25000000  0.98238800  0.63142400  1
  Ba  Ba2  1  0.75000000  0.37508000  0.43901000  1
  Ba  Ba3  1  0.25000000  0.62492000  0.56099000  1
  Ba  Ba4  1  0.75000000  0.80616100  0.88418800  1
  Ba  Ba5  1  0.25000000  0.19383900  0.11581200  1
  Ba  Ba6  1  0.75000000  0.20331000  0.70228300  1
  Ba  Ba7  1  0.25000000  0.79669000  0.29771700  1
  Ba  Ba8  1  0.75000000  0.50408200  0.12147900  1
  Ba  Ba9  1  0.25000000  0.49591800  0.87852100  1
  Li  Li10  1  0.75000000  0.67046500  0.37455100  1
  Li  Li11  1  0.25000000  0.32953500  0.62544900  1
  Mo  Mo12  1  0.75000000  0.82496700  0.58545400  1
  Mo  Mo13  1  0.25000000  0.17503300  0.41454600  1
  Mo  Mo14  1  0.75000000  0.52741200  0.72573100  1
  Mo  Mo15  1  0.25000000  0.47258800  0.27426900  1
  N  N16  1  0.50449400  0.44128800  0.67416400  1
  N  N17  1  0.00449400  0.55871200  0.32583600  1
  N  N18  1  0.49550600  0.55871200  0.32583600  1
  N  N19  1  0.99550600  0.44128800  0.67416400  1
  N  N20  1  0.75000000  0.68011100  0.66275400  1
  N  N21  1  0.25000000  0.31988900  0.33724600  1
  N  N22  1  0.75000000  0.95110700  0.70443800  1
  N  N23  1  0.25000000  0.04889300  0.29556200  1
  N  N24  1  0.50743100  0.83135300  0.48901800  1
  N  N25  1  0.00743100  0.16864700  0.51098200  1
  N  N26  1  0.49256900  0.16864700  0.51098200  1
  N  N27  1  0.99256900  0.83135300  0.48901800  1
  N  N28  1  0.75000000  0.56178600  0.89015000  1
  N  N29  1  0.25000000  0.43821400  0.10985000  1
  Cl  Cl30  1  0.75000000  0.79459600  0.16694800  1
  Cl  Cl31  1  0.25000000  0.20540400  0.83305200  1
  Cl  Cl32  1  0.75000000  0.21122000  0.14219700  1
  Cl  Cl33  1  0.25000000  0.78878000  0.85780300  1
