data_HfMoC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMoC2
_chemical_formula_sum   'Hf1 Mo1 C2'
_cell_volume   51.54
_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
  Hf  Hf2  1  0.0  0.0  0.05  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  C  C0  1  0.56  0.0  0.46  1.0
  C  C1  1  0.56  0.0  0.65  1.0

data_HfMoC2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.13
_cell_length_b   5.4
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMoC2
_chemical_formula_sum   'Hf2 Mo2 C4'
_cell_volume   103.08
_cell_formula_units_Z   2
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
  Hf  Hf0  2  0.0  0.0  0.95  1.0
  Mo  Mo1  2  0.0  0.0  0.0  1.0
  C  C2  2  0.44  0.0  0.35  1.0
  C  C3  2  0.44  0.0  0.54  1.0

Hf Mo C C