data_TlCrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.49
_cell_length_b   6.49
_cell_length_c   4.88
_cell_angle_alpha   111.81
_cell_angle_beta   111.81
_cell_angle_gamma   25.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrGa2
_chemical_formula_sum   'Tl1 Cr1 Ga2'
_cell_volume   80.68
_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  0.4  0.0  0.26  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.46  0.0  0.55  1.0
  Ga  Ga2  1  0.35  0.0  0.96  1.0

data_TlCrGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.88
_cell_length_c   6.49
_cell_angle_alpha   111.81
_cell_angle_beta   102.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlCrGa2
_chemical_formula_sum   'Tl1 Cr1 Ga2'
_cell_volume   80.68
_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  0.26  0.4  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.55  0.46  1.0
  Ga  Ga3  1  0.0  0.96  0.35  1.0

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