data_Lu(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu(NiO2)2
_chemical_formula_sum   'Lu2 Ni4 O8'
_cell_volume   159.98
_cell_formula_units_Z   2
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
  Lu  Lu0  1  0.0  0.0  0.0  1.0
  Lu  Lu1  1  0.15  0.15  0.15  1.0
  Ni  Ni2  1  0.23  0.23  0.39  1.0
  Ni  Ni3  1  0.23  0.39  0.23  1.0
  Ni  Ni4  1  0.39  0.23  0.23  1.0
  Ni  Ni5  1  0.39  0.39  0.39  1.0
  O  O6  1  0.35  0.35  0.35  1.0
  O  O7  1  0.35  0.26  0.26  1.0
  O  O8  1  0.26  0.35  0.26  1.0
  O  O9  1  0.51  0.51  0.42  1.0
  O  O10  1  0.26  0.26  0.35  1.0
  O  O11  1  0.51  0.42  0.51  1.0
  O  O12  1  0.42  0.42  0.42  1.0
  O  O13  1  0.42  0.51  0.51  1.0

data_Lu(NiO2)2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   14.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Lu(NiO2)2
_chemical_formula_sum   'Lu6 Ni12 O24'
_cell_volume   479.93
_cell_formula_units_Z   6
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
  Lu  Lu0  3  0.0  0.0  0.0  1.0
  Lu  Lu1  3  0.0  0.0  0.85  1.0
  Ni  Ni2  9  0.05  0.1  0.72  1.0
  Ni  Ni3  3  0.0  0.0  0.61  1.0
  O  O4  9  0.03  0.06  0.71  1.0
  O  O5  9  0.06  0.03  0.52  1.0
  O  O6  3  0.0  0.0  0.58  1.0
  O  O7  3  0.0  0.0  0.65  1.0

Lu Lu Ni Ni Ni Ni O O O O O O O O