# generated using pymatgen
data_Li7PSe6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.42333740
_cell_length_b   10.31639694
_cell_length_c   14.94025895
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li7PSe6
_chemical_formula_sum   'Li28 P4 Se24'
_cell_volume   1144.15633379
_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  0.22784275  0.19492024  0.31457413  1
  Li  Li1  1  0.77215725  0.69492024  0.68542587  1
  Li  Li2  1  0.27215725  0.19492024  0.81457413  1
  Li  Li3  1  0.72784275  0.69492024  0.18542587  1
  Li  Li4  1  0.96983070  0.48405485  0.27545662  1
  Li  Li5  1  0.03016930  0.98405485  0.72454338  1
  Li  Li6  1  0.53016930  0.48405485  0.77545662  1
  Li  Li7  1  0.46983070  0.98405485  0.22454338  1
  Li  Li8  1  0.16084508  0.32949665  0.02693473  1
  Li  Li9  1  0.83915492  0.82949665  0.97306527  1
  Li  Li10  1  0.33915492  0.32949665  0.52693473  1
  Li  Li11  1  0.66084508  0.82949665  0.47306527  1
  Li  Li12  1  0.06599330  0.00103551  0.10812276  1
  Li  Li13  1  0.93400670  0.50103551  0.89187724  1
  Li  Li14  1  0.43400670  0.00103551  0.60812276  1
  Li  Li15  1  0.56599330  0.50103551  0.39187724  1
  Li  Li16  1  0.45390313  0.98496905  0.04045984  1
  Li  Li17  1  0.54609687  0.48496905  0.95954016  1
  Li  Li18  1  0.04609687  0.98496905  0.54045984  1
  Li  Li19  1  0.95390313  0.48496905  0.45954016  1
  Li  Li20  1  0.39080660  0.38069343  0.22015997  1
  Li  Li21  1  0.60919340  0.88069343  0.77984003  1
  Li  Li22  1  0.10919340  0.38069343  0.72015997  1
  Li  Li23  1  0.89080660  0.88069343  0.27984003  1
  Li  Li24  1  0.65404651  0.17224510  0.12530004  1
  Li  Li25  1  0.34595349  0.67224510  0.87469996  1
  Li  Li26  1  0.84595349  0.17224510  0.62530004  1
  Li  Li27  1  0.15404651  0.67224510  0.37469996  1
  P  P28  1  0.22991397  0.68300581  0.11948551  1
  P  P29  1  0.77008603  0.18300581  0.88051449  1
  P  P30  1  0.27008603  0.68300581  0.61948551  1
  P  P31  1  0.72991397  0.18300581  0.38051449  1
  Se  Se32  1  0.24063422  0.43012333  0.37186153  1
  Se  Se33  1  0.75936578  0.93012333  0.62813847  1
  Se  Se34  1  0.25936578  0.43012333  0.87186153  1
  Se  Se35  1  0.74063422  0.93012333  0.12813847  1
  Se  Se36  1  0.72760833  0.31006997  0.26176265  1
  Se  Se37  1  0.27239167  0.81006997  0.73823735  1
  Se  Se38  1  0.77239167  0.31006997  0.76176265  1
  Se  Se39  1  0.22760833  0.81006997  0.23823735  1
  Se  Se40  1  0.30289816  0.16987853  0.14037357  1
  Se  Se41  1  0.69710184  0.66987853  0.85962643  1
  Se  Se42  1  0.19710184  0.16987853  0.64037357  1
  Se  Se43  1  0.80289816  0.66987853  0.35962643  1
  Se  Se44  1  0.49778390  0.05119257  0.38772818  1
  Se  Se45  1  0.50221610  0.55119257  0.61227182  1
  Se  Se46  1  0.00221610  0.05119257  0.88772818  1
  Se  Se47  1  0.99778390  0.55119257  0.11227182  1
  Se  Se48  1  0.97712929  0.06463595  0.38321419  1
  Se  Se49  1  0.02287071  0.56463595  0.61678581  1
  Se  Se50  1  0.52287071  0.06463595  0.88321419  1
  Se  Se51  1  0.47712929  0.56463595  0.11678581  1
  Se  Se52  1  0.21118993  0.81317801  0.00185758  1
  Se  Se53  1  0.78881007  0.31317801  -0.00185758  1
  Se  Se54  1  0.28881007  0.81317801  0.50185758  1
  Se  Se55  1  0.71118993  0.31317801  0.49814242  1
