# generated using pymatgen
data_Li4Mn3(NiO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85963000
_cell_length_b   5.94019122
_cell_length_c   6.53449124
_cell_angle_alpha   104.06934089
_cell_angle_beta   102.80195374
_cell_angle_gamma   91.65175057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn3(NiO4)3
_chemical_formula_sum   'Li4 Mn3 Ni3 O12'
_cell_volume   214.31719711
_cell_formula_units_Z   1
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  0.17597700  0.65871900  0.65396000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Li  Li2  1  0.00000000  0.00000000  0.00000000  1
  Li  Li3  1  0.82402300  0.34128100  0.34604000  1
  Mn  Mn4  1  0.83595500  0.82825200  0.34047900  1
  Mn  Mn5  1  0.16404500  0.17174800  0.65952100  1
  Mn  Mn6  1  0.50000000  0.50000000  0.00000000  1
  Ni  Ni7  1  0.33690400  0.83108000  0.33685300  1
  Ni  Ni8  1  0.66309600  0.16892000  0.66314700  1
  Ni  Ni9  1  0.00000000  0.50000000  0.00000000  1
  O  O10  1  0.40279300  0.95244100  0.64655300  1
  O  O11  1  0.93518500  0.93094000  0.65497300  1
  O  O12  1  0.27431500  0.73467500  0.02355000  1
  O  O13  1  0.59720700  0.04755900  0.35344700  1
  O  O14  1  0.74550200  0.74297600  0.02852800  1
  O  O15  1  0.06481500  0.06906000  0.34502700  1
  O  O16  1  0.25449800  0.25702400  0.97147200  1
  O  O17  1  0.59833200  0.58790900  0.30992000  1
  O  O18  1  0.72568500  0.26532500  0.97645000  1
  O  O19  1  0.07610900  0.62044900  0.33112100  1
  O  O20  1  0.40166800  0.41209100  0.69008000  1
  O  O21  1  0.92389100  0.37955100  0.66887900  1
