data_TiIn2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   3.7
_cell_angle_alpha   91.17
_cell_angle_beta   91.17
_cell_angle_gamma   91.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Co
_chemical_formula_sum   'Ti1 In2 Co1'
_cell_volume   69.49
_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
  In  In1  1  0.46  0.55  0.85  1.0
  In  In2  1  0.46  0.45  0.85  1.0
  Co  Co0  1  0.02  0.0  0.0  1.0

data_TiIn2Co
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.7
_cell_length_b   4.33
_cell_length_c   4.33
_cell_angle_alpha   90.0
_cell_angle_beta   91.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TiIn2Co
_chemical_formula_sum   'Ti1 In2 Co1'
_cell_volume   69.53
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  In  In1  2  0.85  0.45  0.46  1.0
  Co  Co2  1  0.0  0.0  0.02  1.0

Ti In In Co
Ti In In Co 0 3 o o o 1 2 o o o 