data_LiCd2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   4.46
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   100.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Ni
_chemical_formula_sum   'Li1 Cd2 Ni1'
_cell_volume   65.84
_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  0.54  0.0  0.51  1.0
  Cd  Cd0  1  0.91  0.0  0.84  1.0
  Cd  Cd1  1  0.87  0.23  0.54  1.0
  Ni  Ni3  1  0.45  0.23  0.91  1.0

data_LiCd2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.46
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   100.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCd2Ni
_chemical_formula_sum   'Li1 Cd2 Ni1'
_cell_volume   65.84
_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  0.54  0.0  0.51  1.0
  Cd  Cd1  1  0.87  0.23  0.54  1.0
  Cd  Cd2  1  0.91  0.0  0.84  1.0
  Ni  Ni3  1  0.45  0.23  0.91  1.0

Li Cd Cd Ni