data_ZrNbC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   135.04
_cell_angle_beta   109.12
_cell_angle_gamma   87.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbC2
_chemical_formula_sum   'Zr1 Nb1 C2'
_cell_volume   51.41
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.0  0.11  1.0
  C  C0  1  0.0  0.5  0.49  1.0
  C  C1  1  0.65  0.0  0.62  1.0

data_ZrNbC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.32
_cell_length_c   4.32
_cell_angle_alpha   70.88
_cell_angle_beta   67.52
_cell_angle_gamma   67.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNbC2
_chemical_formula_sum   'Zr1 Nb1 C2'
_cell_volume   51.41
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.0  0.0  0.11  1.0
  C  C2  1  0.0  0.35  0.62  1.0
  C  C3  1  0.5  0.0  0.98  1.0

Zr Nb C C
Zr Nb C C 0 1 o o o 0 2 o - - 0 2 o o o 0 3 - o - 1 2 o o o 1 3 - o - 