# generated using pymatgen
data_Li2Mo15Se19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.72790959
_cell_length_b   9.72790959
_cell_length_c   20.35552028
_cell_angle_alpha   76.17541418
_cell_angle_beta   76.17541418
_cell_angle_gamma   60.00000228
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2Mo15Se19
_chemical_formula_sum   'Li4 Mo30 Se38'
_cell_volume   1603.45742679
_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
  Li  Li0  1  0.61394562  0.61394562  0.15816313  1
  Li  Li1  1  0.11394562  0.11394562  0.65816313  1
  Li  Li2  1  0.38605438  0.38605438  0.84183687  1
  Li  Li3  1  0.88605438  0.88605438  0.34183687  1
  Mo  Mo4  1  0.49785079  0.68858528  0.44114470  1
  Mo  Mo5  1  0.68858528  0.37241923  0.44114470  1
  Mo  Mo6  1  0.37241923  0.49785079  0.44114470  1
  Mo  Mo7  1  0.99785079  0.87241923  0.94114470  1
  Mo  Mo8  1  0.87241923  0.18858528  0.94114470  1
  Mo  Mo9  1  0.18858528  0.99785079  0.94114470  1
  Mo  Mo10  1  0.50214921  0.31141472  0.55885530  1
  Mo  Mo11  1  0.31141472  0.62758077  0.55885530  1
  Mo  Mo12  1  0.62758077  0.50214921  0.55885530  1
  Mo  Mo13  1  0.00214921  0.12758077  0.05885530  1
  Mo  Mo14  1  0.12758077  0.81141472  0.05885530  1
  Mo  Mo15  1  0.81141472  0.00214921  0.05885530  1
  Mo  Mo16  1  0.72551345  0.86053873  0.86740465  1
  Mo  Mo17  1  0.86053873  0.54654317  0.86740465  1
  Mo  Mo18  1  0.54654317  0.72551345  0.86740465  1
  Mo  Mo19  1  0.22551345  0.04654317  0.36740465  1
  Mo  Mo20  1  0.04654317  0.36053873  0.36740465  1
  Mo  Mo21  1  0.36053873  0.22551345  0.36740465  1
  Mo  Mo22  1  0.27448655  0.13946127  0.13259535  1
  Mo  Mo23  1  0.13946127  0.45345683  0.13259535  1
  Mo  Mo24  1  0.45345683  0.27448655  0.13259535  1
  Mo  Mo25  1  0.77448655  0.95345683  0.63259535  1
  Mo  Mo26  1  0.95345683  0.63946127  0.63259535  1
  Mo  Mo27  1  0.63946127  0.77448655  0.63259535  1
  Mo  Mo28  1  0.58972287  0.91027713  0.75000000  1
  Mo  Mo29  1  0.91027713  0.75000000  0.75000000  1
  Mo  Mo30  1  0.75000000  0.58972287  0.75000000  1
  Mo  Mo31  1  0.08972287  0.25000000  0.25000000  1
  Mo  Mo32  1  0.25000000  0.41027713  0.25000000  1
  Mo  Mo33  1  0.41027713  0.08972287  0.25000000  1
  Se  Se34  1  0.80290284  0.55737734  0.45045395  1
  Se  Se35  1  0.55737734  0.18926587  0.45045395  1
  Se  Se36  1  0.18926587  0.80290284  0.45045395  1
  Se  Se37  1  0.30290284  0.68926587  0.95045395  1
  Se  Se38  1  0.68926587  0.05737734  0.95045395  1
  Se  Se39  1  0.05737734  0.30290284  0.95045395  1
  Se  Se40  1  0.19709716  0.44262266  0.54954605  1
  Se  Se41  1  0.44262266  0.81073413  0.54954605  1
  Se  Se42  1  0.81073413  0.19709716  0.54954605  1
  Se  Se43  1  0.69709716  0.31073413  0.04954605  1
  Se  Se44  1  0.31073413  0.94262266  0.04954605  1
  Se  Se45  1  0.94262266  0.69709716  0.04954605  1
  Se  Se46  1  0.42048575  0.04434034  0.85626443  1
  Se  Se47  1  0.04434034  0.67890948  0.85626443  1
  Se  Se48  1  0.67890948  0.42048575  0.85626443  1
  Se  Se49  1  0.92048575  0.17890948  0.35626443  1
  Se  Se50  1  0.17890948  0.54434034  0.35626443  1
  Se  Se51  1  0.54434034  0.92048575  0.35626443  1
  Se  Se52  1  0.57951425  0.95565966  0.14373557  1
  Se  Se53  1  0.95565966  0.32109052  0.14373557  1
  Se  Se54  1  0.32109052  0.57951425  0.14373557  1
  Se  Se55  1  0.07951425  0.82109052  0.64373557  1
  Se  Se56  1  0.82109052  0.45565966  0.64373557  1
  Se  Se57  1  0.45565966  0.07951425  0.64373557  1
  Se  Se58  1  0.05894250  0.44105750  0.75000000  1
  Se  Se59  1  0.44105750  0.75000000  0.75000000  1
  Se  Se60  1  0.75000000  0.05894250  0.75000000  1
  Se  Se61  1  0.55894250  0.25000000  0.25000000  1
  Se  Se62  1  0.25000000  0.94105750  0.25000000  1
  Se  Se63  1  0.94105750  0.55894250  0.25000000  1
  Se  Se64  1  0.55450512  0.55450512  0.33648465  1
  Se  Se65  1  0.05450512  0.05450512  0.83648465  1
  Se  Se66  1  0.44549488  0.44549488  0.66351535  1
  Se  Se67  1  0.94549488  0.94549488  0.16351535  1
  Se  Se68  1  0.67610387  0.67610387  0.97168840  1
  Se  Se69  1  0.17610387  0.17610387  0.47168840  1
  Se  Se70  1  0.32389613  0.32389613  0.02831160  1
  Se  Se71  1  0.82389613  0.82389613  0.52831160  1
