data_TaCrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrCo
_chemical_formula_sum   'Ta1 Cr1 Co1'
_cell_volume   41.6
_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  Ta2  1  0.36  0.78  0.39  1.0
  Cr  Cr1  1  0.0  0.0  1.0  1.0
  Co  Co0  1  1.0  0.57  0.14  1.0

data_TaCrCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   2.71
_cell_length_c   6.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrCo
_chemical_formula_sum   'Ta1 Cr1 Co1'
_cell_volume   41.6
_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  0.36  0.78  0.39  1.0
  Cr  Cr1  1  0.0  0.0  1.0  1.0
  Co  Co2  1  1.0  0.57  0.14  1.0

Ta Cr Co
Ta Cr Co 0 2 - o o 1 2 - o + 1 2 - - + 