[CIF]
data_Zr3Al3C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31038839
_cell_length_b   3.31038839
_cell_length_c   29.40013400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al3C5
_chemical_formula_sum   'Zr6 Al6 C10'
_cell_volume   279.02161065
_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
  Zr  Zr0  1  0.00000000  0.00000000  14.70006700  1
  Zr  Zr1  1  0.00000000  1.91125363  17.36057333  1
  Zr  Zr2  1  1.65519419  0.95562681  12.03956067  1
  Zr  Zr3  1  1.65519419  0.95562681  2.66050633  1
  Zr  Zr4  1  -0.00000000  1.91125363  26.73962767  1
  Zr  Zr5  1  0.00000000  0.00000000  0.00000000  1
  Al  Al6  1  0.00000000  1.91125363  24.14500705  1
  Al  Al7  1  1.65519419  0.95562681  9.44494005  1
  Al  Al8  1  -0.00000000  1.91125363  19.95519395  1
  Al  Al9  1  1.65519419  0.95562681  5.25512695  1
  Al  Al10  1  0.00000000  0.00000000  7.35003350  1
  Al  Al11  1  0.00000000  0.00000000  22.05010050  1
  C  C12  1  0.00000000  0.00000000  24.99761093  1
  C  C13  1  0.00000000  0.00000000  10.29754393  1
  C  C14  1  1.65519419  0.95562681  27.99363159  1
  C  C15  1  0.00000000  1.91125363  1.40650241  1
  C  C16  1  0.00000000  1.91125363  13.29356459  1
  C  C17  1  0.00000000  0.00000000  19.10259007  1
  C  C18  1  0.00000000  0.00000000  4.40252307  1
  C  C19  1  1.65519419  0.95562681  16.10656941  1
  C  C20  1  0.00000000  1.91125363  7.35003350  1
  C  C21  1  1.65519419  0.95562681  22.05010050  1
[/CIF]
