data_TaAlCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.76
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlCo2
_chemical_formula_sum   'Ta1 Al1 Co2'
_cell_volume   54.07
_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  0.4  0.88  0.41  1.0
  Al  Al0  1  0.0  0.0  0.09  1.0
  Co  Co1  1  0.4  0.88  0.93  1.0
  Co  Co2  1  0.0  0.0  0.4  1.0

data_TaAlCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.76
_cell_length_c   5.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAlCo2
_chemical_formula_sum   'Ta1 Al1 Co2'
_cell_volume   54.07
_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  0.4  0.88  0.41  1.0
  Al  Al1  1  0.0  0.0  0.09  1.0
  Co  Co2  1  0.0  0.0  0.4  1.0
  Co  Co3  1  0.4  0.88  0.93  1.0

Ta Al Co Co
Ta Al Co Co 0 3 o + o 1 2 o - - 1 3 o o o 