# generated using pymatgen
data_NiCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54107893
_cell_length_b   5.54107561
_cell_length_c   5.54106491
_cell_angle_alpha   48.98950167
_cell_angle_beta   48.98953696
_cell_angle_gamma   48.98944422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiCO3
_chemical_formula_sum   'Ni2 C2 O6'
_cell_volume   88.94505301
_cell_formula_units_Z   2
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
  Ni  Ni0  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni1  1  -0.00000000  0.00000000  0.00000000  1.0
  C  C2  1  0.74999674  0.75000244  0.74999922  1.0
  C  C3  1  0.25000326  0.24999756  0.25000078  1.0
  O  O4  1  0.46948153  0.03051821  0.74999996  1.0
  O  O5  1  0.74999649  0.46948440  0.03051117  1.0
  O  O6  1  0.96948475  0.24999650  0.53051197  1.0
  O  O7  1  0.53051847  0.96948179  0.25000004  1.0
  O  O8  1  0.25000351  0.53051560  0.96948883  1.0
  O  O9  1  0.03051525  0.75000350  0.46948803  1.0