# generated using pymatgen
data_Ba2Li6As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52572610
_cell_length_b   4.52572676
_cell_length_c   13.96071754
_cell_angle_alpha   99.32810082
_cell_angle_beta   99.32810130
_cell_angle_gamma   89.99999425
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Li6As5
_chemical_formula_sum   'Ba2 Li6 As5'
_cell_volume   278.33232801
_cell_formula_units_Z   1
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  0.64532685  0.64532685  0.29065370  1.0
  Ba  Ba1  1  0.35467315  0.35467315  0.70934630  1.0
  Li  Li2  1  0.95176368  0.45176368  0.90352735  1.0
  Li  Li3  1  0.45176368  0.95176368  0.90352735  1.0
  Li  Li4  1  0.04823632  0.54823632  0.09647265  1.0
  Li  Li5  1  0.54823632  0.04823632  0.09647265  1.0
  Li  Li6  1  0.25000000  0.75000000  0.50000000  1.0
  Li  Li7  1  0.75000000  0.25000000  0.50000000  1.0
  As  As8  1  0.50000000  0.50000000  0.00000000  1.0
  As  As9  1  0.89323530  0.89323530  0.78646960  1.0
  As  As10  1  0.10676470  0.10676470  0.21353040  1.0
  As  As11  1  0.80238840  0.80238840  0.60477681  1.0
  As  As12  1  0.19761160  0.19761160  0.39522319  1.0