data_TiNbCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.86
_cell_angle_alpha   136.11
_cell_angle_beta   136.11
_cell_angle_gamma   63.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbCo2
_chemical_formula_sum   'Ti1 Nb1 Co2'
_cell_volume   54.49
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.82  0.06  1.0
  Co  Co0  1  0.82  0.0  0.06  1.0
  Co  Co1  1  0.0  0.0  0.13  1.0

data_TiNbCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   4.86
_cell_angle_alpha   111.94
_cell_angle_beta   111.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNbCo2
_chemical_formula_sum   'Ti1 Nb1 Co2'
_cell_volume   54.49
_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
  Ti  Ti0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.75  0.82  0.75  1.0
  Co  Co2  1  0.87  0.0  0.87  1.0
  Co  Co3  1  0.94  0.0  0.75  1.0

Ti Nb Co Co