# generated using pymatgen
data_Li4Mn3Cr3(NiO8)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81344678
_cell_length_b   5.81344678
_cell_length_c   9.61678665
_cell_angle_alpha   89.74629978
_cell_angle_beta   89.74629978
_cell_angle_gamma   59.95743294
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4Mn3Cr3(NiO8)2
_chemical_formula_sum   'Li4 Mn3 Cr3 Ni2 O16'
_cell_volume   281.34285924
_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  0.66839200  0.66839200  0.10893400  1
  Li  Li1  1  0.99894100  0.99894100  0.00144000  1
  Li  Li2  1  0.99921100  0.99921100  0.50234900  1
  Li  Li3  1  0.33524300  0.33524300  0.60828800  1
  Mn  Mn4  1  0.82875000  0.82875000  0.78310800  1
  Mn  Mn5  1  0.16778600  0.66053400  0.28465600  1
  Mn  Mn6  1  0.66053400  0.16778600  0.28465600  1
  Cr  Cr7  1  0.33492400  0.83009300  0.78657500  1
  Cr  Cr8  1  0.83009300  0.33492400  0.78657500  1
  Cr  Cr9  1  0.16656800  0.16656800  0.28880100  1
  Ni  Ni10  1  0.66722700  0.66722700  0.50928300  1
  Ni  Ni11  1  0.33273300  0.33273300  0.01279900  1
  O  O12  1  0.31834000  0.84422600  0.39085700  1
  O  O13  1  0.52044000  0.52044000  0.67053000  1
  O  O14  1  0.67007200  0.67007200  0.89543100  1
  O  O15  1  0.99590200  0.99590200  0.68598900  1
  O  O16  1  0.99612600  0.99612600  0.18671200  1
  O  O17  1  0.84422600  0.31834000  0.39085700  1
  O  O18  1  0.51681100  0.96445400  0.67046400  1
  O  O19  1  0.96445400  0.51681100  0.67046400  1
  O  O20  1  0.16024000  0.16024000  0.88885800  1
  O  O21  1  0.84262200  0.84262200  0.39459400  1
  O  O22  1  0.03669600  0.48076700  0.17186500  1
  O  O23  1  0.48076700  0.03669600  0.17186500  1
  O  O24  1  0.33697000  0.33697000  0.39385800  1
  O  O25  1  0.16290600  0.68136700  0.89109700  1
  O  O26  1  0.48278100  0.48278100  0.17018900  1
  O  O27  1  0.68136700  0.16290600  0.89109700  1
