data_TiTlCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   143.41
_cell_angle_beta   128.69
_cell_angle_gamma   64.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlCr2
_chemical_formula_sum   'Ti1 Tl1 Cr2'
_cell_volume   61.82
_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  0.0  0.0  0.47  1.0
  Tl  Tl3  1  0.61  0.0  0.07  1.0
  Cr  Cr0  1  0.0  0.0  0.41  1.0
  Cr  Cr1  1  0.0  0.22  0.38  1.0

data_TiTlCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.44
_cell_length_c   5.12
_cell_angle_alpha   115.66
_cell_angle_beta   108.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTlCr2
_chemical_formula_sum   'Ti1 Tl1 Cr2'
_cell_volume   61.82
_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  0.47  0.47  1.0
  Tl  Tl1  1  0.0  0.07  0.46  1.0
  Cr  Cr2  1  0.0  0.41  0.41  1.0
  Cr  Cr3  1  0.78  0.16  0.16  1.0

Ti Tl Cr Cr