# generated using pymatgen
data_LiZrS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85448629
_cell_length_b   6.85448629
_cell_length_c   6.85448644
_cell_angle_alpha   30.33785903
_cell_angle_beta   30.33785903
_cell_angle_gamma   30.33786137
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrS2
_chemical_formula_sum   'Li1 Zr1 S2'
_cell_volume   72.81512274
_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
  Li  Li0  1  0.16732283  0.16732283  0.16732283  1
  Zr  Zr1  1  0.99770947  0.99770947  0.99770947  1
  S  S2  1  0.41118177  0.41118177  0.41118177  1
  S  S3  1  0.58378693  0.58378693  0.58378693  1
