data_ZrC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   4.35
_cell_angle_alpha   134.34
_cell_angle_beta   70.35
_cell_angle_gamma   129.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrC3
_chemical_formula_sum   'Zr1 C3'
_cell_volume   44.4
_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  0.69  0.0  0.92  1.0
  C  C0  1  0.0  0.3  0.23  1.0
  C  C1  1  0.69  0.26  0.38  1.0
  C  C2  1  0.0  0.0  0.64  1.0

data_ZrC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   3.7
_cell_length_c   4.35
_cell_angle_alpha   115.2
_cell_angle_beta   112.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrC3
_chemical_formula_sum   'Zr1 C3'
_cell_volume   44.4
_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  0.31  0.08  0.39  1.0
  C  C1  1  0.0  0.36  0.36  1.0
  C  C2  1  0.3  0.07  0.07  1.0
  C  C3  1  0.57  0.88  0.19  1.0

Zr C C C