data_ZrC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   119.55
_cell_angle_beta   119.55
_cell_angle_gamma   90.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrC2
_chemical_formula_sum   'Zr2 C4'
_cell_volume   61.0
_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  0.0  0.0  0.64  1.0
  Zr  Zr5  1  0.0  0.0  0.55  1.0
  C  C0  1  0.49  0.73  0.0  1.0
  C  C1  1  0.73  0.49  0.1  1.0
  C  C2  1  0.71  0.49  0.0  1.0
  C  C3  1  0.51  0.73  0.1  1.0

data_ZrC2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.19
_cell_length_b   6.28
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   134.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrC2
_chemical_formula_sum   'Zr4 C8'
_cell_volume   122.01
_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+1/2, y+1/2, z'
  4  '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  2  0.36  0.0  0.36  1.0
  Zr  Zr1  2  0.45  0.0  0.45  1.0
  C  C2  4  0.01  0.38  0.9  1.0
  C  C3  4  0.11  0.38  0.0  1.0

Zr Zr C C C C