data_NdCu3(RuO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   109.47
_cell_angle_beta   109.47
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCu3(RuO3)4
_chemical_formula_sum   'Nd1 Cu3 Ru4 O12'
_cell_volume   208.69
_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
  Nd  Nd3  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.74  1.0
  Cu  Cu1  1  0.0  0.74  0.0  1.0
  Cu  Cu2  1  0.74  0.0  0.0  1.0
  Ru  Ru16  1  0.13  0.87  0.87  1.0
  Ru  Ru17  1  0.87  0.13  0.87  1.0
  Ru  Ru18  1  0.87  0.87  0.13  1.0
  Ru  Ru19  1  0.87  0.87  0.87  1.0
  O  O4  1  0.54  0.47  0.74  1.0
  O  O5  1  0.27  0.0  0.28  1.0
  O  O6  1  0.27  0.0  0.19  1.0
  O  O7  1  0.0  0.28  0.27  1.0
  O  O8  1  0.74  0.54  0.47  1.0
  O  O9  1  0.28  0.27  0.0  1.0
  O  O10  1  0.46  0.47  0.74  1.0
  O  O11  1  0.0  0.19  0.27  1.0
  O  O12  1  0.74  0.46  0.47  1.0
  O  O13  1  0.47  0.74  0.54  1.0
  O  O14  1  0.47  0.74  0.46  1.0
  O  O15  1  0.19  0.27  0.0  1.0

data_NdCu3(RuO3)4
_symmetry_space_group_name_H-M   R3
_cell_length_a   10.57
_cell_length_b   10.57
_cell_length_c   6.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   NdCu3(RuO3)4
_chemical_formula_sum   'Nd3 Cu9 Ru12 O36'
_cell_volume   626.08
_cell_formula_units_Z   3
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  'x+2/3, y+1/3, z+1/3'
  5  '-y+2/3, x-y+1/3, z+1/3'
  6  '-x+y+2/3, -x+1/3, z+1/3'
  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'
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  3  0.0  0.0  0.0  1.0
  Cu  Cu1  9  0.09  0.18  0.91  1.0
  Ru  Ru2  9  0.18  0.09  0.96  1.0
  Ru  Ru3  3  0.0  0.0  0.87  1.0
  O  O4  9  0.04  0.15  0.15  1.0
  O  O5  9  0.09  0.9  0.18  1.0
  O  O6  9  0.15  0.12  0.58  1.0
  O  O7  9  0.18  0.09  0.55  1.0

Nd Cu Cu Cu Ru Ru Ru Ru O O O O O O O O O O O O
Nd Cu Cu Cu Ru Ru Ru Ru O O O O O O O O O O O O 0 7 - - - 0 1 o o - 0 2 o - o 0 3 - o o 0 4 o - - 0 5 - o - 0 6 - - o 1 7 - - o 1 5 - o o 1 4 o - o 1 19 o o + 1 13 o o + 2 7 - o - 2 6 - o o 2 4 o o - 2 10 o + o 2 9 o + o 3 7 o - - 3 6 o - o 3 5 o o - 3 15 + o o 3 11 + o o 4 7 - o o 4 10 o + + 5 7 o - o 5 19 + o + 6 15 + + o 6 7 o o - 8 14 o o o 9 10 o o o 11 15 o o o 12 16 o o o 13 19 o o o 17 18 o o o 