# generated using pymatgen
data_Li3SiNiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90616600
_cell_length_b   5.40164700
_cell_length_c   15.74853600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3SiNiO5
_chemical_formula_sum   'Li12 Si4 Ni4 O20'
_cell_volume   417.35788746
_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  0.99814600  0.67054600  0.59407600  1
  Li  Li1  1  0.99814600  0.17054600  0.90592400  1
  Li  Li2  1  0.50008000  0.33813700  0.99537800  1
  Li  Li3  1  0.50008000  0.83813700  0.50462200  1
  Li  Li4  1  0.50873800  0.33184400  0.80271400  1
  Li  Li5  1  0.50873800  0.83184400  0.69728600  1
  Li  Li6  1  0.49814600  0.32945400  0.40592400  1
  Li  Li7  1  0.49814600  0.82945400  0.09407600  1
  Li  Li8  1  0.00008000  0.66186300  0.00462200  1
  Li  Li9  1  0.00008000  0.16186300  0.49537800  1
  Li  Li10  1  0.00873800  0.16815600  0.30271400  1
  Li  Li11  1  0.00873800  0.66815600  0.19728600  1
  Si  Si12  1  0.00596800  0.16121300  0.09794800  1
  Si  Si13  1  0.00596800  0.66121300  0.40205200  1
  Si  Si14  1  0.50596800  0.33878700  0.59794800  1
  Si  Si15  1  0.50596800  0.83878700  0.90205200  1
  Ni  Ni16  1  0.00030500  0.18166100  0.69988300  1
  Ni  Ni17  1  0.00030500  0.68166100  0.80011700  1
  Ni  Ni18  1  0.50030500  0.31833900  0.19988300  1
  Ni  Ni19  1  0.50030500  0.81833900  0.30011700  1
  O  O20  1  0.09948600  0.34961300  0.79623000  1
  O  O21  1  0.09948600  0.84961300  0.70377000  1
  O  O22  1  0.09915000  0.37408000  0.39797000  1
  O  O23  1  0.09915000  0.87408000  0.10203000  1
  O  O24  1  0.10195000  0.31041300  0.01430800  1
  O  O25  1  0.10195000  0.81041300  0.48569200  1
  O  O26  1  0.11739800  0.30812400  0.18636400  1
  O  O27  1  0.11739800  0.80812400  0.31363600  1
  O  O28  1  0.16377800  0.32065600  0.60468400  1
  O  O29  1  0.16377800  0.82065600  0.89531600  1
  O  O30  1  0.59948600  0.65038700  0.20377000  1
  O  O31  1  0.59948600  0.15038700  0.29623000  1
  O  O32  1  0.59915000  0.62592000  0.60203000  1
  O  O33  1  0.59915000  0.12592000  0.89797000  1
  O  O34  1  0.60195000  0.18958700  0.51430800  1
  O  O35  1  0.60195000  0.68958700  0.98569200  1
  O  O36  1  0.61739800  0.19187600  0.68636400  1
  O  O37  1  0.61739800  0.69187600  0.81363600  1
  O  O38  1  0.66377800  0.17934400  0.10468400  1
  O  O39  1  0.66377800  0.67934400  0.39531600  1
