# generated using pymatgen
data_LiNbCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04666894
_cell_length_b   6.20012900
_cell_length_c   8.76928201
_cell_angle_alpha   90.00011269
_cell_angle_beta   90.00221451
_cell_angle_gamma   90.00037776
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbCoO4
_chemical_formula_sum   'Li4 Nb4 Co4 O16'
_cell_volume   328.76149964
_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  0.00000200  0.25000000  0.14019800  1
  Li  Li1  1  0.49999900  0.75000000  0.64019800  1
  Li  Li2  1  0.00000100  0.75000000  0.85980200  1
  Li  Li3  1  0.49999800  0.25000000  0.35980200  1
  Nb  Nb4  1  0.99998800  0.50000900  0.49999200  1
  Nb  Nb5  1  0.50001200  0.99999100  0.00000800  1
  Nb  Nb6  1  0.99999500  0.99999000  0.49999100  1
  Nb  Nb7  1  0.50000500  0.50001000  0.00000900  1
  Co  Co8  1  0.75000000  0.25000000  0.75000000  1
  Co  Co9  1  0.75000000  0.75000000  0.25000000  1
  Co  Co10  1  0.25000000  0.75000000  0.25000000  1
  Co  Co11  1  0.25000000  0.25000000  0.75000000  1
  O  O12  1  0.99999200  0.52014600  0.27354800  1
  O  O13  1  0.49999700  0.02013400  0.77354300  1
  O  O14  1  0.99998100  0.97985500  0.27354800  1
  O  O15  1  0.49999700  0.47986500  0.77354300  1
  O  O16  1  0.00000300  0.02013500  0.72645700  1
  O  O17  1  0.50001900  0.52014500  0.22645200  1
  O  O18  1  0.00000300  0.47986600  0.72645700  1
  O  O19  1  0.50000700  0.97985400  0.22645200  1
  O  O20  1  0.22225400  0.75000100  0.50386100  1
  O  O21  1  0.72226100  0.25000000  0.00387500  1
  O  O22  1  0.77773500  0.74999900  0.50388700  1
  O  O23  1  0.27774700  0.24999900  0.00387200  1
  O  O24  1  0.77773900  0.25000000  0.49612500  1
  O  O25  1  0.27774600  0.74999900  0.99613900  1
  O  O26  1  0.22225300  0.25000100  0.49612800  1
  O  O27  1  0.72226500  0.75000100  0.99611300  1
