data_Ti4In2CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86
_cell_length_b   7.86
_cell_length_c   7.86
_cell_angle_alpha   33.58
_cell_angle_beta   33.58
_cell_angle_gamma   33.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti4In2CoNi
_chemical_formula_sum   'Ti4 In2 Co1 Ni1'
_cell_volume   132.53
_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  0.47  1.0
  Ti  Ti1  1  0.0  0.0  0.34  1.0
  Ti  Ti2  1  0.0  0.0  0.9  1.0
  Ti  Ti3  1  0.0  0.0  0.78  1.0
  In  In4  1  0.0  0.0  0.56  1.0
  In  In5  1  0.0  0.0  0.68  1.0
  Co  Co6  1  0.0  0.0  0.0  1.0
  Ni  Ni7  1  0.0  0.0  0.12  1.0

data_Ti4In2CoNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.87
_cell_length_b   4.54
_cell_length_c   7.86
_cell_angle_alpha   90.0
_cell_angle_beta   109.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti4In2CoNi
_chemical_formula_sum   'Ti8 In4 Co2 Ni2'
_cell_volume   265.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.53  1.0
  Ti  Ti1  2  0.0  0.0  0.66  1.0
  Ti  Ti2  2  0.0  0.0  0.1  1.0
  Ti  Ti3  2  0.0  0.0  0.22  1.0
  In  In4  2  0.0  0.0  0.32  1.0
  In  In5  2  0.0  0.0  0.44  1.0
  Co  Co6  2  0.0  0.0  0.0  1.0
  Ni  Ni7  2  0.0  0.0  0.88  1.0

Ti Ti Ti Ti In In Co Ni
Ti Ti Ti Ti In In Co Ni 0 4 o o o 0 1 o o o 2 6 o o + 3 5 o o o 4 5 o o o 6 7 o o o 