data_Ti2TlCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.51
_cell_angle_alpha   96.42
_cell_angle_beta   96.42
_cell_angle_gamma   37.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlCr
_chemical_formula_sum   'Ti2 Tl1 Cr1'
_cell_volume   69.35
_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  Ti1  1  0.65  0.0  0.32  1.0
  Ti  Ti2  1  0.33  0.0  0.16  1.0
  Tl  Tl3  1  0.99  0.0  0.74  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Ti2TlCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.56
_cell_length_c   5.51
_cell_angle_alpha   96.42
_cell_angle_beta   90.0
_cell_angle_gamma   108.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2TlCr
_chemical_formula_sum   'Ti2 Tl1 Cr1'
_cell_volume   69.35
_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  0.35  0.68  1.0
  Ti  Ti1  1  0.0  0.67  0.84  1.0
  Tl  Tl2  1  0.0  0.01  0.26  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Ti Ti Tl Cr