data_NdRe2SiC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83
_cell_length_b   5.83
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   139.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdRe2SiC
_chemical_formula_sum   'Nd2 Re4 Si2 C2'
_cell_volume   162.73
_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
  Nd  Nd0  1  0.02  0.52  0.52  1.0
  Nd  Nd1  1  0.02  0.48  0.84  1.0
  Re  Re2  1  0.02  0.44  0.14  1.0
  Re  Re3  1  0.02  0.56  0.23  1.0
  Re  Re4  1  0.02  0.56  0.45  1.0
  Re  Re5  1  0.02  0.44  0.91  1.0
  Si  Si6  1  0.02  0.56  0.52  1.0
  Si  Si7  1  0.02  0.44  0.84  1.0
  C  C8  1  0.0  0.0  0.68  1.0
  C  C9  1  0.0  0.0  0.0  1.0

data_NdRe2SiC
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.04
_cell_length_b   5.83
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdRe2SiC
_chemical_formula_sum   'Nd2 Re4 Si2 C2'
_cell_volume   162.73
_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
  Nd  Nd0  1  0.48  0.5  0.52  1.0
  Nd  Nd1  1  0.52  0.54  0.84  1.0
  Re  Re2  1  0.44  0.46  0.23  1.0
  Re  Re3  1  0.44  0.46  0.45  1.0
  Si  Si4  1  0.44  0.46  0.52  1.0
  Si  Si5  1  0.56  0.58  0.84  1.0
  Re  Re6  1  0.56  0.58  0.14  1.0
  Re  Re7  1  0.56  0.58  0.91  1.0
  C  C8  1  0.0  0.0  0.0  1.0
  C  C9  1  0.0  0.0  0.68  1.0

Nd Nd Re Re Re Re Si Si C C
Nd Nd Re Re Re Re Si Si C C 0 6 o o o 0 4 o o o 0 8 o o o 0 8 o + o 1 7 o o o 1 5 o o o 1 8 o o o 1 9 o o + 2 3 o o o 2 9 o o o 4 6 o o o 4 8 o + o 5 7 o o o 5 8 o o o 5 9 o o + 6 8 o + o 7 8 o o o 7 9 o o + 8 9 o o + 