# generated using pymatgen
data_Ba4Li2(CdAs2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.57847876
_cell_length_b   10.57847876
_cell_length_c   17.37455100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   154.52750007
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Li2(CdAs2)3
_chemical_formula_sum   'Ba8 Li4 Cd6 As12'
_cell_volume   836.19408115
_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  0.98337300  0.01662700  0.37839300  1
  Ba  Ba1  1  0.01662700  0.98337300  0.62160700  1
  Ba  Ba2  1  0.98337300  0.01662700  0.12160700  1
  Ba  Ba3  1  0.01662700  0.98337300  0.87839300  1
  Ba  Ba4  1  0.82676100  0.17323900  0.93025900  1
  Ba  Ba5  1  0.17323900  0.82676100  0.06974100  1
  Ba  Ba6  1  0.82676100  0.17323900  0.56974100  1
  Ba  Ba7  1  0.17323900  0.82676100  0.43025900  1
  Li  Li8  1  0.85092600  0.14907400  0.25000000  1
  Li  Li9  1  0.14907400  0.85092600  0.75000000  1
  Li  Li10  1  0.56394200  0.43605800  0.25000000  1
  Li  Li11  1  0.43605800  0.56394200  0.75000000  1
  Cd  Cd12  1  0.35100200  0.64899800  0.37656000  1
  Cd  Cd13  1  0.64899800  0.35100200  0.62344000  1
  Cd  Cd14  1  0.35100200  0.64899800  0.12344000  1
  Cd  Cd15  1  0.64899800  0.35100200  0.87656000  1
  Cd  Cd16  1  0.70388900  0.29611100  0.25000000  1
  Cd  Cd17  1  0.29611100  0.70388900  0.75000000  1
  As  As18  1  0.78043900  0.21956100  0.38239100  1
  As  As19  1  0.21956100  0.78043900  0.61760900  1
  As  As20  1  0.78043900  0.21956100  0.11760900  1
  As  As21  1  0.21956100  0.78043900  0.88239100  1
  As  As22  1  0.56026600  0.43973400  0.48668300  1
  As  As23  1  0.43973400  0.56026600  0.51331700  1
  As  As24  1  0.56026600  0.43973400  0.01331700  1
  As  As25  1  0.43973400  0.56026600  0.98668300  1
  As  As26  1  0.43190100  0.56809900  0.25000000  1
  As  As27  1  0.56809900  0.43190100  0.75000000  1
  As  As28  1  0.11947700  0.88052300  0.25000000  1
  As  As29  1  0.88052300  0.11947700  0.75000000  1
