# generated using pymatgen
data_LiNbCoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09508200
_cell_length_b   6.09508200
_cell_length_c   8.66136000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbCoO4
_chemical_formula_sum   'Li4 Nb4 Co4 O16'
_cell_volume   321.76973695
_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  0.00000000  0.23810200  0.00000000  1
  Li  Li1  1  0.00000000  0.76189800  0.50000000  1
  Li  Li2  1  0.23810200  0.00000000  0.25000000  1
  Li  Li3  1  0.76189800  0.00000000  0.75000000  1
  Nb  Nb4  1  0.25175700  0.25175700  0.62500000  1
  Nb  Nb5  1  0.25175700  0.74824300  0.87500000  1
  Nb  Nb6  1  0.74824300  0.25175700  0.37500000  1
  Nb  Nb7  1  0.74824300  0.74824300  0.12500000  1
  Co  Co8  1  0.24703800  0.50000000  0.25000000  1
  Co  Co9  1  0.50000000  0.24703800  0.00000000  1
  Co  Co10  1  0.50000000  0.75296200  0.50000000  1
  Co  Co11  1  0.75296200  0.50000000  0.75000000  1
  O  O12  1  0.00268200  0.25600100  0.25449700  1
  O  O13  1  0.00268200  0.74399900  0.24550300  1
  O  O14  1  0.25600100  0.00268200  0.99550300  1
  O  O15  1  0.25600100  0.99731800  0.50449700  1
  O  O16  1  0.25548700  0.49845700  0.00630000  1
  O  O17  1  0.25548700  0.50154300  0.49370000  1
  O  O18  1  0.49845700  0.25548700  0.24370000  1
  O  O19  1  0.49845700  0.74451300  0.25630000  1
  O  O20  1  0.50154300  0.25548700  0.75630000  1
  O  O21  1  0.50154300  0.74451300  0.74370000  1
  O  O22  1  0.74451300  0.50154300  0.50630000  1
  O  O23  1  0.74451300  0.49845700  0.99370000  1
  O  O24  1  0.74399900  0.00268200  0.00449700  1
  O  O25  1  0.74399900  0.99731800  0.49550300  1
  O  O26  1  0.99731800  0.25600100  0.74550300  1
  O  O27  1  0.99731800  0.74399900  0.75449700  1
