# generated using pymatgen
data_Ba4LiGa5Se12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58024475
_cell_length_b   13.90086970
_cell_length_c   13.90086970
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4LiGa5Se12
_chemical_formula_sum   'Ba8 Li2 Ga10 Se24'
_cell_volume   1271.52818804
_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  0.95185019  0.52116683  0.80314885  1
  Ba  Ba1  1  0.54814981  0.02116683  0.69685115  1
  Ba  Ba2  1  0.95185019  0.47883317  0.19685115  1
  Ba  Ba3  1  0.54814981  0.97883317  0.30314885  1
  Ba  Ba4  1  0.04814981  0.80314885  0.47883317  1
  Ba  Ba5  1  0.45185019  0.69685115  0.97883317  1
  Ba  Ba6  1  0.04814981  0.19685115  0.52116683  1
  Ba  Ba7  1  0.45185019  0.30314885  0.02116683  1
  Li  Li8  1  0.00000000  0.50000000  0.50000000  1
  Li  Li9  1  0.50000000  -0.00000000  0.00000000  1
  Ga  Ga10  1  0.55248437  0.74587635  0.64092751  1
  Ga  Ga11  1  0.94751563  0.24587635  0.85907249  1
  Ga  Ga12  1  0.55248437  0.25412365  0.35907249  1
  Ga  Ga13  1  0.94751563  0.75412365  0.14092751  1
  Ga  Ga14  1  0.44751563  0.64092751  0.25412365  1
  Ga  Ga15  1  0.05248437  0.85907249  0.75412365  1
  Ga  Ga16  1  0.44751563  0.35907249  0.74587635  1
  Ga  Ga17  1  0.05248437  0.14092751  0.24587635  1
  Ga  Ga18  1  0.50000000  0.50000000  0.50000000  1
  Ga  Ga19  1  0.00000000  -0.00000000  0.00000000  1
  Se  Se20  1  0.54606054  0.85977804  0.51351268  1
  Se  Se21  1  0.95393946  0.35977804  0.98648732  1
  Se  Se22  1  0.54606054  0.14022196  0.48648732  1
  Se  Se23  1  0.95393946  0.64022196  0.01351268  1
  Se  Se24  1  0.45393946  0.51351268  0.14022196  1
  Se  Se25  1  0.04606054  0.98648732  0.64022196  1
  Se  Se26  1  0.45393946  0.48648732  0.85977804  1
  Se  Se27  1  0.04606054  0.01351268  0.35977804  1
  Se  Se28  1  0.70903331  0.80344020  0.79143183  1
  Se  Se29  1  0.79096669  0.30344020  0.70856817  1
  Se  Se30  1  0.70903331  0.19655980  0.20856817  1
  Se  Se31  1  0.79096669  0.69655980  0.29143183  1
  Se  Se32  1  0.29096669  0.79143183  0.19655980  1
  Se  Se33  1  0.20903331  0.70856817  0.69655980  1
  Se  Se34  1  0.29096669  0.20856817  0.80344020  1
  Se  Se35  1  0.20903331  0.29143183  0.30344020  1
  Se  Se36  1  0.73764786  0.59928295  0.59137589  1
  Se  Se37  1  0.76235214  0.09928295  0.90862411  1
  Se  Se38  1  0.73764786  0.40071705  0.40862411  1
  Se  Se39  1  0.76235214  0.90071705  0.09137589  1
  Se  Se40  1  0.26235214  0.59137589  0.40071705  1
  Se  Se41  1  0.23764786  0.90862411  0.90071705  1
  Se  Se42  1  0.26235214  0.40862411  0.59928295  1
  Se  Se43  1  0.23764786  0.09137589  0.09928295  1
