data_Lu4Ni2C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   11.38
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4Ni2C5
_chemical_formula_sum   'Lu4 Ni2 C5'
_cell_volume   146.06
_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
  Lu  Lu0  1  0.0  0.3  0.82  1.0
  Lu  Lu1  1  0.0  0.08  0.82  1.0
  Lu  Lu2  1  0.0  0.69  0.88  1.0
  Lu  Lu3  1  0.76  0.0  0.65  1.0
  Ni  Ni4  1  0.76  0.38  0.1  1.0
  Ni  Ni5  1  0.76  0.01  0.1  1.0
  C  C6  1  0.76  0.59  0.0  1.0
  C  C7  1  0.76  0.79  0.0  1.0
  C  C8  1  0.76  0.78  0.92  1.0
  C  C9  1  0.76  0.6  0.92  1.0
  C  C10  1  0.0  0.0  0.85  1.0

data_Lu4Ni2C5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.65
_cell_length_c   11.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4Ni2C5
_chemical_formula_sum   'Lu4 Ni2 C5'
_cell_volume   146.06
_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
  Lu  Lu0  1  0.0  0.12  0.31  1.0
  Lu  Lu1  1  0.0  0.18  0.7  1.0
  Lu  Lu2  1  0.0  0.18  0.92  1.0
  Lu  Lu3  1  0.24  0.35  0.0  1.0
  Ni  Ni4  1  0.24  0.9  0.62  1.0
  Ni  Ni5  1  0.24  0.9  0.99  1.0
  C  C6  1  0.0  0.15  0.0  1.0
  C  C7  1  0.24  0.08  0.22  1.0
  C  C8  1  0.24  0.08  0.4  1.0
  C  C9  1  0.24  1.0  0.21  1.0
  C  C10  1  0.24  1.0  0.41  1.0

Lu Lu Lu Lu Ni Ni C C C C C
Lu Lu Lu Lu Ni Ni C C C C C 0 4 - o + 1 10 o o o 2 6 - o + 2 9 - o o 2 7 - o + 2 8 - o o 3 10 + o o 5 10 + o - 6 9 o o - 7 8 o o - 