# generated using pymatgen
data_NiCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.02426800
_cell_length_b   3.15000500
_cell_length_c   9.24386494
_cell_angle_alpha   87.89076764
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiCO4
_chemical_formula_sum   'Ni4 C4 O16'
_cell_volume   262.59259461
_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
  Ni  Ni0  1  0.70817000  0.72989900  0.89703900  1.0
  Ni  Ni1  1  0.79183000  0.72989900  0.39703900  1.0
  Ni  Ni2  1  0.20817000  0.27010100  0.60296100  1.0
  Ni  Ni3  1  0.29183000  0.27010100  0.10296100  1.0
  C  C4  1  0.37896800  0.76462600  0.83113400  1.0
  C  C5  1  0.12103200  0.76462600  0.33113400  1.0
  C  C6  1  0.87896800  0.23537400  0.66886600  1.0
  C  C7  1  0.62103200  0.23537400  0.16886600  1.0
  O  O8  1  0.51324000  0.75541400  0.79693100  1.0
  O  O9  1  0.98676000  0.75541400  0.29693100  1.0
  O  O10  1  0.54793000  0.63564800  0.51082200  1.0
  O  O11  1  0.33405200  0.77868300  0.96614800  1.0
  O  O12  1  0.27648800  0.75965300  0.73003000  1.0
  O  O13  1  0.95207000  0.63564800  0.01082200  1.0
  O  O14  1  0.16594800  0.77868300  0.46614800  1.0
  O  O15  1  0.22351200  0.75965300  0.23003000  1.0
  O  O16  1  0.77648800  0.24034700  0.76997000  1.0
  O  O17  1  0.83405200  0.22131700  0.53385200  1.0
  O  O18  1  0.04793000  0.36435200  0.98917800  1.0
  O  O19  1  0.72351200  0.24034700  0.26997000  1.0
  O  O20  1  0.66594800  0.22131700  0.03385200  1.0
  O  O21  1  0.45207000  0.36435200  0.48917800  1.0
  O  O22  1  0.01324000  0.24458600  0.70306900  1.0
  O  O23  1  0.48676000  0.24458600  0.20306900  1.0