# generated using pymatgen
data_Ba3LiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28906623
_cell_length_b   8.28906623
_cell_length_c   6.94223500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000187
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3LiN
_chemical_formula_sum   'Ba6 Li2 N2'
_cell_volume   413.08664456
_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  0.14770700  0.29541400  0.75000000  1
  Ba  Ba1  1  0.14770700  0.85229300  0.75000000  1
  Ba  Ba2  1  0.85229300  0.70458600  0.25000000  1
  Ba  Ba3  1  0.70458600  0.85229300  0.75000000  1
  Ba  Ba4  1  0.29541400  0.14770700  0.25000000  1
  Ba  Ba5  1  0.85229300  0.14770700  0.25000000  1
  Li  Li6  1  0.33333300  0.66666700  0.25000000  1
  Li  Li7  1  0.66666700  0.33333300  0.75000000  1
  N  N8  1  0.00000000  0.00000000  0.00000000  1
  N  N9  1  0.00000000  0.00000000  0.50000000  1
