# generated using pymatgen
data_LiNbCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16923600
_cell_length_b   6.16989100
_cell_length_c   8.49593100
_cell_angle_alpha   90.00026742
_cell_angle_beta   90.00067828
_cell_angle_gamma   90.00232171
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbCoO4
_chemical_formula_sum   'Li4 Nb4 Co4 O16'
_cell_volume   323.38498564
_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  0.99998700  0.22114100  0.00001600  1
  Li  Li1  1  0.99997800  0.77886900  0.49998000  1
  Li  Li2  1  0.22113400  0.00000900  0.25000800  1
  Li  Li3  1  0.77886100  0.00000100  0.74999500  1
  Nb  Nb4  1  0.21351000  0.50000100  0.25000900  1
  Nb  Nb5  1  0.50000800  0.21350000  0.00001400  1
  Nb  Nb6  1  0.49999500  0.78651300  0.49999400  1
  Nb  Nb7  1  0.78648000  0.49998600  0.74998300  1
  Co  Co8  1  0.74131400  0.25869100  0.37501300  1
  Co  Co9  1  0.74133400  0.74133400  0.12499200  1
  Co  Co10  1  0.25867500  0.25866800  0.62498000  1
  Co  Co11  1  0.25867800  0.74132200  0.87501400  1
  O  O12  1  0.01638100  0.26357700  0.25432600  1
  O  O13  1  0.01640400  0.73643200  0.24572900  1
  O  O14  1  0.26353500  0.01642100  0.99572400  1
  O  O15  1  0.26355500  0.98359200  0.50427500  1
  O  O16  1  0.73645300  0.01643800  0.00430300  1
  O  O17  1  0.73642500  0.98358800  0.49568000  1
  O  O18  1  0.98362100  0.26354900  0.74570000  1
  O  O19  1  0.98361900  0.73646300  0.75426500  1
  O  O20  1  0.26542400  0.48224700  0.01584900  1
  O  O21  1  0.26543700  0.51771300  0.48416400  1
  O  O22  1  0.48230400  0.26543900  0.23416700  1
  O  O23  1  0.48228900  0.73454600  0.26584200  1
  O  O24  1  0.51771700  0.26541500  0.76582700  1
  O  O25  1  0.51774500  0.73457200  0.73416400  1
  O  O26  1  0.73456200  0.51769300  0.51584700  1
  O  O27  1  0.73457700  0.48228000  0.98413900  1
