data_LiMnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.51
_cell_length_b   4.05
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   99.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnNi2
_chemical_formula_sum   'Li1 Mn1 Ni2'
_cell_volume   46.17
_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  0.9  0.0  0.19  1.0
  Mn  Mn1  1  0.14  0.03  0.47  1.0
  Ni  Ni2  1  0.74  0.0  0.51  1.0
  Ni  Ni3  1  0.68  0.03  0.19  1.0

data_LiMnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   4.05
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   99.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiMnNi2
_chemical_formula_sum   'Li1 Mn1 Ni2'
_cell_volume   46.17
_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  0.9  0.0  0.19  1.0
  Mn  Mn1  1  0.14  0.03  0.47  1.0
  Ni  Ni2  1  0.68  0.03  0.19  1.0
  Ni  Ni3  1  0.74  0.0  0.51  1.0

Li Mn Ni Ni
Li Mn Ni Ni 0 3 o o o 1 2 - o o 