data_ZrC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   4.12
_cell_angle_alpha   113.15
_cell_angle_beta   113.15
_cell_angle_gamma   113.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrC3
_chemical_formula_sum   'Zr1 C3'
_cell_volume   44.92
_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
  C  C0  1  0.0  0.98  0.1  1.0
  C  C1  1  0.72  0.01  0.1  1.0
  C  C2  1  0.28  0.01  0.1  1.0

data_ZrC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.12
_cell_length_c   4.12
_cell_angle_alpha   113.15
_cell_angle_beta   105.48
_cell_angle_gamma   105.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrC3
_chemical_formula_sum   'Zr1 C3'
_cell_volume   44.92
_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
  C  C1  1  0.1  0.38  0.09  1.0
  C  C2  1  0.1  0.82  0.09  1.0
  C  C3  1  0.1  0.1  0.12  1.0

Zr C C C