# generated using pymatgen
data_Li2Ni2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83888480
_cell_length_b   8.83888480
_cell_length_c   6.40988418
_cell_angle_alpha   69.72774802
_cell_angle_beta   69.72774802
_cell_angle_gamma   84.68451347
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Ni2S3
_chemical_formula_sum   'Li8 Ni8 S12'
_cell_volume   440.44597897
_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  0.79673500  0.95940700  0.07780600  1
  Li  Li1  1  0.95940700  0.79673500  0.57780600  1
  Li  Li2  1  0.27980000  0.72020000  0.25000000  1
  Li  Li3  1  0.56299700  0.43700300  0.25000000  1
  Li  Li4  1  0.43700300  0.56299700  0.75000000  1
  Li  Li5  1  0.72020000  0.27980000  0.75000000  1
  Li  Li6  1  0.04059300  0.20326500  0.42219400  1
  Li  Li7  1  0.20326500  0.04059300  0.92219400  1
  Ni  Ni8  1  0.78286600  0.61515200  0.39194600  1
  Ni  Ni9  1  0.43870100  0.92289500  0.39692600  1
  Ni  Ni10  1  0.61515200  0.78286600  0.89194600  1
  Ni  Ni11  1  0.92289500  0.43870100  0.89692600  1
  Ni  Ni12  1  0.07710500  0.56129900  0.10307400  1
  Ni  Ni13  1  0.38484800  0.21713400  0.10805400  1
  Ni  Ni14  1  0.56129900  0.07710500  0.60307400  1
  Ni  Ni15  1  0.21713400  0.38484800  0.60805400  1
  S  S16  1  0.57834500  0.72797900  0.27033600  1
  S  S17  1  0.85305600  0.40816400  0.27443000  1
  S  S18  1  0.72797900  0.57834500  0.77033600  1
  S  S19  1  0.40816400  0.85305600  0.77443000  1
  S  S20  1  0.00313700  0.78057600  0.18760800  1
  S  S21  1  0.99686300  0.21942400  0.81239200  1
  S  S22  1  0.59183600  0.14694400  0.22557000  1
  S  S23  1  0.27202100  0.42165500  0.22966400  1
  S  S24  1  0.78057600  0.00313700  0.68760800  1
  S  S25  1  0.14694400  0.59183600  0.72557000  1
  S  S26  1  0.42165500  0.27202100  0.72966400  1
  S  S27  1  0.21942400  0.99686300  0.31239200  1
