data_Ti2CoSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   4.19
_cell_angle_alpha   113.22
_cell_angle_beta   113.22
_cell_angle_gamma   39.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoSb
_chemical_formula_sum   'Ti2 Co1 Sb1'
_cell_volume   64.13
_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  Ti2  1  0.97  0.0  0.78  1.0
  Ti  Ti3  1  0.95  0.0  0.8  1.0
  Co  Co0  1  0.03  0.0  0.89  1.0
  Sb  Sb1  1  0.02  0.0  0.05  1.0

data_Ti2CoSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.19
_cell_length_c   5.17
_cell_angle_alpha   113.22
_cell_angle_beta   109.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CoSb
_chemical_formula_sum   'Ti2 Co1 Sb1'
_cell_volume   64.13
_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  0.78  0.97  1.0
  Ti  Ti1  1  0.0  0.8  0.95  1.0
  Co  Co2  1  0.0  0.89  0.03  1.0
  Sb  Sb3  1  0.0  0.05  0.02  1.0

Ti Ti Co Sb