# generated using pymatgen
data_LiMn3NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77226693
_cell_length_b   5.77226693
_cell_length_c   5.96992308
_cell_angle_alpha   62.40288664
_cell_angle_beta   62.40288664
_cell_angle_gamma   60.51781433
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMn3NiO8
_chemical_formula_sum   'Li1 Mn3 Ni1 O8'
_cell_volume   146.14510944
_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  0.00000000  0.00000000  0.00000000  1
  Mn  Mn1  1  0.50000000  0.00000000  0.50000000  1
  Mn  Mn2  1  0.50000000  0.50000000  0.50000000  1
  Mn  Mn3  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni4  1  0.00000000  0.00000000  0.50000000  1
  O  O5  1  0.71388900  0.23740900  0.29599600  1
  O  O6  1  0.23740900  0.71388900  0.29599600  1
  O  O7  1  0.22417700  0.22417700  0.31308600  1
  O  O8  1  0.73324700  0.73324700  0.30163300  1
  O  O9  1  0.26675300  0.26675300  0.69836700  1
  O  O10  1  0.77582300  0.77582300  0.68691400  1
  O  O11  1  0.76259100  0.28611100  0.70400400  1
  O  O12  1  0.28611100  0.76259100  0.70400400  1
