data_Li2YNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   4.19
_cell_angle_alpha   109.8
_cell_angle_beta   109.8
_cell_angle_gamma   37.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YNi
_chemical_formula_sum   'Li2 Y1 Ni1'
_cell_volume   72.75
_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  0.28  0.0  0.87  1.0
  Li  Li1  1  0.63  0.0  0.04  1.0
  Y  Y3  1  0.46  0.0  0.96  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Li2YNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.19
_cell_length_c   5.51
_cell_angle_alpha   109.8
_cell_angle_beta   108.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2YNi
_chemical_formula_sum   'Li2 Y1 Ni1'
_cell_volume   72.75
_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  0.04  0.63  1.0
  Li  Li1  1  0.0  0.87  0.28  1.0
  Y  Y2  1  0.0  0.96  0.46  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Li Li Y Ni