data_LiCr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   2.39
_cell_angle_alpha   96.92
_cell_angle_beta   96.92
_cell_angle_gamma   122.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Ni
_chemical_formula_sum   'Li1 Cr2 Ni1'
_cell_volume   45.19
_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  Li2  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.86  0.89  0.16  1.0
  Cr  Cr1  1  0.86  0.11  0.16  1.0
  Ni  Ni3  1  0.32  0.0  0.0  1.0

data_LiCr2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.39
_cell_length_b   4.63
_cell_length_c   4.81
_cell_angle_alpha   61.21
_cell_angle_beta   83.08
_cell_angle_gamma   75.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCr2Ni
_chemical_formula_sum   'Li1 Cr2 Ni1'
_cell_volume   45.19
_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  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.84  0.11  0.75  1.0
  Cr  Cr2  1  0.84  0.89  0.97  1.0
  Ni  Ni3  1  0.0  0.0  0.32  1.0

Li Cr Cr Ni