data_Ta2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2C
_chemical_formula_sum   'Ta2 C1'
_cell_volume   44.15
_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  Ta1  1  1.0  0.73  0.41  1.0
  Ta  Ta2  1  1.0  0.73  0.3  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Ta2C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   2.99
_cell_length_b   5.18
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2C
_chemical_formula_sum   'Ta4 C2'
_cell_volume   88.31
_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
  Ta  Ta0  2  0.23  0.5  0.3  1.0
  Ta  Ta1  2  0.23  0.5  0.41  1.0
  C  C2  2  0.0  0.0  0.0  1.0

Ta Ta C
Ta Ta C 0 1 o o o 1 2 + + o 