data_Zr4C5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4C5
_chemical_formula_sum   'Zr8 C10'
_cell_volume   232.08
_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  Zr10  1  0.0  0.0  0.94  1.0
  Zr  Zr11  1  0.0  0.0  0.0  1.0
  Zr  Zr12  1  0.4  0.43  0.41  1.0
  Zr  Zr13  1  0.95  0.0  0.41  1.0
  Zr  Zr14  1  0.03  0.42  0.41  1.0
  Zr  Zr15  1  0.97  0.42  0.47  1.0
  Zr  Zr16  1  0.8  0.0  0.47  1.0
  Zr  Zr17  1  0.6  0.43  0.47  1.0
  C  C0  1  0.52  0.37  0.41  1.0
  C  C1  1  0.71  0.0  0.41  1.0
  C  C2  1  0.15  0.48  0.41  1.0
  C  C3  1  0.85  0.48  0.47  1.0
  C  C4  1  0.04  0.0  0.47  1.0
  C  C5  1  0.48  0.37  0.47  1.0
  C  C6  1  0.0  0.9  0.94  1.0
  C  C7  1  0.37  0.95  0.0  1.0
  C  C8  1  0.37  0.95  0.94  1.0
  C  C9  1  0.0  0.9  0.0  1.0

data_Zr4C5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.88
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4C5
_chemical_formula_sum   'Zr8 C10'
_cell_volume   232.08
_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  0.0  0.0  0.0  1.0
  Zr  Zr1  1  0.41  0.03  0.42  1.0
  Zr  Zr2  1  0.41  0.4  0.43  1.0
  Zr  Zr3  1  0.41  0.95  0.0  1.0
  Zr  Zr4  1  0.47  0.6  0.43  1.0
  Zr  Zr5  1  0.47  0.8  0.0  1.0
  Zr  Zr6  1  0.47  0.97  0.42  1.0
  Zr  Zr7  1  0.94  0.0  0.0  1.0
  C  C8  1  -0.0  0.37  0.95  1.0
  C  C9  1  -0.0  0.0  0.9  1.0
  C  C10  1  0.41  0.15  0.48  1.0
  C  C11  1  0.41  0.52  0.37  1.0
  C  C12  1  0.41  0.71  0.0  1.0
  C  C13  1  0.47  0.04  0.0  1.0
  C  C14  1  0.47  0.48  0.37  1.0
  C  C15  1  0.47  0.85  0.48  1.0
  C  C16  1  0.94  0.0  0.9  1.0
  C  C17  1  0.94  0.37  0.95  1.0

Zr Zr Zr Zr Zr Zr Zr Zr C C C C C C C C C C