data_LaNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   8.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi2
_chemical_formula_sum   'La8 Ni16'
_cell_volume   493.29
_cell_formula_units_Z   8
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
  La  La0  1  0.63  0.63  0.91  1.0
  La  La1  1  0.91  0.91  0.91  1.0
  La  La2  1  0.63  0.91  0.63  1.0
  La  La3  1  0.91  0.63  0.63  1.0
  La  La4  1  0.05  0.05  0.77  1.0
  La  La5  1  0.77  0.77  0.77  1.0
  La  La6  1  0.05  0.77  0.05  1.0
  La  La7  1  0.77  0.05  0.05  1.0
  Ni  Ni8  1  0.57  0.7  0.7  1.0
  Ni  Ni9  1  0.7  0.57  0.7  1.0
  Ni  Ni10  1  0.57  0.57  0.57  1.0
  Ni  Ni11  1  0.7  0.7  0.57  1.0
  Ni  Ni12  1  0.14  0.14  0.78  1.0
  Ni  Ni13  1  0.5  0.14  0.14  1.0
  Ni  Ni14  1  0.14  0.5  0.14  1.0
  Ni  Ni15  1  0.14  0.78  0.14  1.0
  Ni  Ni16  1  0.78  0.14  0.14  1.0
  Ni  Ni17  1  0.14  0.14  0.5  1.0
  Ni  Ni18  1  0.27  0.27  0.9  1.0
  Ni  Ni19  1  0.64  0.27  0.27  1.0
  Ni  Ni20  1  0.27  0.64  0.27  1.0
  Ni  Ni21  1  0.27  0.9  0.27  1.0
  Ni  Ni22  1  0.9  0.27  0.27  1.0
  Ni  Ni23  1  0.27  0.27  0.64  1.0

data_LaNi2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   21.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaNi2
_chemical_formula_sum   'La24 Ni48'
_cell_volume   1479.88
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  La  La0  9  0.09  0.19  0.28  1.0
  La  La1  9  0.19  0.09  0.05  1.0
  La  La2  3  0.0  0.0  0.09  1.0
  La  La3  3  0.0  0.0  0.23  1.0
  Ni  Ni4  9  0.09  0.54  0.27  1.0
  Ni  Ni5  9  0.09  0.05  0.34  1.0
  Ni  Ni6  9  0.09  0.55  0.41  1.0
  Ni  Ni7  9  0.21  0.42  0.52  1.0
  Ni  Ni8  9  0.21  0.43  0.65  1.0
  Ni  Ni9  3  0.0  0.0  0.43  1.0

La La La La La La La La Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni