data_La3DyC8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.9
_cell_length_c   12.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3DyC8
_chemical_formula_sum   'La3 Dy1 C8'
_cell_volume   196.93
_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
  La  La0  1  0.95  0.95  0.24  1.0
  La  La1  1  0.0  0.0  0.0  1.0
  La  La2  1  0.95  0.95  0.7  1.0
  Dy  Dy3  1  0.0  0.0  0.47  1.0
  C  C4  1  0.0  0.0  0.96  1.0
  C  C5  1  0.95  0.95  0.65  1.0
  C  C6  1  0.0  0.0  0.28  1.0
  C  C7  1  0.95  0.95  0.12  1.0
  C  C8  1  0.95  0.95  0.82  1.0
  C  C9  1  0.0  0.0  0.66  1.0
  C  C10  1  0.95  0.95  0.29  1.0
  C  C11  1  0.0  0.0  0.98  1.0

data_La3DyC8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   12.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La3DyC8
_chemical_formula_sum   'La6 Dy2 C16'
_cell_volume   393.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  La  La1  2  0.45  0.5  0.24  1.0
  La  La2  2  0.45  0.5  0.7  1.0
  Dy  Dy3  2  0.0  0.0  0.47  1.0
  C  C4  2  0.0  0.0  0.28  1.0
  C  C5  2  0.0  0.0  0.66  1.0
  C  C6  2  0.0  0.0  0.96  1.0
  C  C7  2  0.0  0.0  0.98  1.0
  C  C8  2  0.45  0.5  0.12  1.0
  C  C9  2  0.45  0.5  0.29  1.0
  C  C10  2  0.45  0.5  0.65  1.0
  C  C11  2  0.45  0.5  0.82  1.0

La La La Dy C C C C C C C C
La La La Dy C C C C C C C C 0 6 + + o 0 10 o o o 0 7 o o o 1 11 o o - 1 7 - - o 2 9 + + o 2 5 o o o 2 8 o o o 3 10 - - o 3 5 - - o 3 6 o o o 3 9 o o o 4 11 o o o 4 8 - - o 5 9 + + o 6 10 - - o 7 11 + + - 