data_ZrC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   2.81
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrC2
_chemical_formula_sum   'Zr2 C4'
_cell_volume   59.45
_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  Zr4  1  0.4  0.81  0.52  1.0
  Zr  Zr5  1  0.0  0.62  0.17  1.0
  C  C0  1  0.4  0.81  0.1  1.0
  C  C1  1  0.0  0.62  0.45  1.0
  C  C2  1  0.0  0.62  0.59  1.0
  C  C3  1  0.4  0.81  0.24  1.0

data_ZrC2
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   8.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   ZrC2
_chemical_formula_sum   'Zr4 C8'
_cell_volume   118.9
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.11  0.0  0.17  1.0
  C  C1  4  0.09  0.0  0.9  1.0
  C  C2  4  0.11  0.0  0.76  1.0

Zr Zr C C C C