data_Hf2TaC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   4.34
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaC
_chemical_formula_sum   'Hf2 Ta1 C1'
_cell_volume   65.52
_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  Hf1  1  0.69  0.0  0.23  1.0
  Hf  Hf2  1  0.69  0.17  0.0  1.0
  Ta  Ta3  1  0.0  0.17  0.23  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Hf2TaC
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.34
_cell_length_c   4.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaC
_chemical_formula_sum   'Hf2 Ta1 C1'
_cell_volume   65.52
_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  Hf0  1  0.69  0.0  0.23  1.0
  Hf  Hf1  1  0.69  0.17  0.0  1.0
  Ta  Ta2  1  -0.0  0.17  0.23  1.0
  C  C3  1  0.0  0.0  0.0  1.0

Hf Hf Ta C
Hf Hf Ta C 0 3 + o o 0 1 o o o 0 2 + o o 1 3 + o o 1 2 + o o 2 3 o o o 