data_TaTiCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiCo2
_chemical_formula_sum   'Ta1 Ti1 Co2'
_cell_volume   55.85
_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  0.08  0.0  0.22  1.0
  Ti  Ti3  1  0.0  0.0  0.34  1.0
  Co  Co0  1  0.08  0.0  0.14  1.0
  Co  Co1  1  0.0  0.0  0.66  1.0

data_TaTiCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiCo2
_chemical_formula_sum   'Ta1 Ti1 Co2'
_cell_volume   55.85
_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  0.08  0.0  0.22  1.0
  Ti  Ti1  1  0.0  0.0  0.34  1.0
  Co  Co2  1  0.0  0.0  0.66  1.0
  Co  Co3  1  0.08  0.0  0.14  1.0

Ta Ti Co Co
Ta Ti Co Co 0 2 o o o 0 1 o o o 1 3 o o o 