# generated using pymatgen
data_Li4Nb3Cr3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.05338903
_cell_length_b   6.05338903
_cell_length_c   9.81569658
_cell_angle_alpha   89.88931276
_cell_angle_beta   89.88931276
_cell_angle_gamma   60.62041383
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Nb3Cr3(NiO8)2
_chemical_formula_sum   'Li4 Nb3 Cr3 Ni2 O16'
_cell_volume   313.42173594
_cell_formula_units_Z   1
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  0.33246600  0.33246600  0.09894800  1
  Li  Li1  1  0.99238900  0.99238900  0.99428000  1
  Li  Li2  1  0.98916000  0.98916000  0.50860700  1
  Li  Li3  1  0.66433600  0.66433600  0.62730500  1
  Nb  Nb4  1  0.17151400  0.17151400  0.78489200  1
  Nb  Nb5  1  0.83353900  0.33891700  0.28471600  1
  Nb  Nb6  1  0.33891700  0.83353900  0.28471600  1
  Cr  Cr7  1  0.66230100  0.16956800  0.78522600  1
  Cr  Cr8  1  0.16956800  0.66230100  0.78522600  1
  Cr  Cr9  1  0.83206500  0.83206500  0.28475400  1
  Ni  Ni10  1  0.34136700  0.34136700  0.52413000  1
  Ni  Ni11  1  0.67262300  0.67262300  0.98561500  1
  O  O12  1  0.68639700  0.16126400  0.39372600  1
  O  O13  1  0.48199300  0.48199300  0.66748800  1
  O  O14  1  0.33240400  0.33240400  0.89774300  1
  O  O15  1  0.99982400  0.99982400  0.68849000  1
  O  O16  1  0.00030500  0.00030500  0.18098400  1
  O  O17  1  0.16126400  0.68639700  0.39372600  1
  O  O18  1  0.47804300  0.03469700  0.66298400  1
  O  O19  1  0.03469700  0.47804300  0.66298400  1
  O  O20  1  0.84123200  0.84123200  0.89453400  1
  O  O21  1  0.15836500  0.15836500  0.39615800  1
  O  O22  1  0.96776600  0.51210400  0.16961700  1
  O  O23  1  0.51210400  0.96776600  0.16961700  1
  O  O24  1  0.66494200  0.66494200  0.39743000  1
  O  O25  1  0.84611600  0.32066000  0.89805000  1
  O  O26  1  0.51364500  0.51364500  0.17216800  1
  O  O27  1  0.32066000  0.84611600  0.89805000  1
