# generated using pymatgen
data_LiNdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05777058
_cell_length_b   4.05688748
_cell_length_c   6.61974225
_cell_angle_alpha   72.11580425
_cell_angle_beta   89.99977261
_cell_angle_gamma   120.00951283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNdS2
_chemical_formula_sum   'Li1 Nd1 S2'
_cell_volume   88.23153592
_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  -0.00000000  -0.00000001  -0.00000004  1
  Nd  Nd1  1  0.49999985  -0.00000027  0.50000003  1
  S  S2  1  0.25237024  0.50473088  0.24275267  1
  S  S3  1  0.74762991  0.49526939  0.75724734  1
