data_TlCr2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   3.65
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Ga
_chemical_formula_sum   'Tl1 Cr2 Ga1'
_cell_volume   70.1
_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
  Tl  Tl3  1  0.0  0.0  0.14  1.0
  Cr  Cr0  1  0.53  0.82  0.87  1.0
  Cr  Cr1  1  0.53  0.82  0.41  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0

data_TlCr2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   3.65
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCr2Ga
_chemical_formula_sum   'Tl1 Cr2 Ga1'
_cell_volume   70.1
_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
  Tl  Tl0  1  0.0  0.0  0.14  1.0
  Cr  Cr1  1  0.53  0.82  0.41  1.0
  Cr  Cr2  1  0.53  0.82  0.87  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Tl Cr Cr Ga
Tl Cr Cr Ga 0 3 o o o 0 2 o - o 0 2 - - o 1 3 o + + 1 3 + + + 