data_TaMoC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoC2
_chemical_formula_sum   'Ta1 Mo1 C2'
_cell_volume   47.86
_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
  Ta  Ta3  1  0.52  0.52  0.0  1.0
  Mo  Mo2  1  0.52  0.0  0.58  1.0
  C  C0  1  0.0  0.52  0.58  1.0
  C  C1  1  0.0  0.0  0.0  1.0

data_TaMoC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoC2
_chemical_formula_sum   'Ta1 Mo1 C2'
_cell_volume   47.86
_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
  Ta  Ta0  1  0.52  0.52  0.0  1.0
  Mo  Mo1  1  0.52  0.0  0.58  1.0
  C  C2  1  0.0  0.0  0.0  1.0
  C  C3  1  0.0  0.52  0.58  1.0

Ta Mo C C
Ta Mo C C 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 1 2 o - o 1 2 o o o 1 2 + - o 1 2 + o o 