# generated using pymatgen
data_LiMoS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27668200
_cell_length_b   6.67196726
_cell_length_c   6.80222801
_cell_angle_alpha   61.09446986
_cell_angle_beta   89.90165195
_cell_angle_gamma   89.79849298
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMoS2
_chemical_formula_sum   'Li4 Mo4 S8'
_cell_volume   249.37214634
_cell_formula_units_Z   4
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  0.00994000  0.48190900  0.29016500  1
  Li  Li1  1  0.99006000  0.51809100  0.70983500  1
  Li  Li2  1  0.97910400  0.00921400  0.73991900  1
  Li  Li3  1  0.02089600  0.99078600  0.26008100  1
  Mo  Mo4  1  0.50025500  0.49174200  0.21023300  1
  Mo  Mo5  1  0.49974500  0.50825800  0.78976700  1
  Mo  Mo6  1  0.49609000  0.94301900  0.80779700  1
  Mo  Mo7  1  0.50391000  0.05698100  0.19220300  1
  S  S8  1  0.77324800  0.34486100  0.06856600  1
  S  S9  1  0.22675200  0.65513900  0.93143400  1
  S  S10  1  0.74644800  0.81784900  0.10476400  1
  S  S11  1  0.25355200  0.18215100  0.89523600  1
  S  S12  1  0.69833700  0.32222200  0.59074000  1
  S  S13  1  0.30166300  0.67777800  0.40926000  1
  S  S14  1  0.71837100  0.84786200  0.56886500  1
  S  S15  1  0.28162900  0.15213800  0.43113500  1
