data_Y2TlGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   4.96
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   97.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlGa
_chemical_formula_sum   'Y2 Tl1 Ga1'
_cell_volume   103.79
_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
  Y  Y2  1  0.86  0.0  0.03  1.0
  Y  Y3  1  0.75  0.48  0.97  1.0
  Tl  Tl1  1  0.89  0.48  0.62  1.0
  Ga  Ga0  1  0.95  0.0  0.3  1.0

data_Y2TlGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   4.96
_cell_length_c   5.62
_cell_angle_alpha   90.0
_cell_angle_beta   97.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TlGa
_chemical_formula_sum   'Y2 Tl1 Ga1'
_cell_volume   103.79
_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
  Y  Y0  1  0.75  0.48  0.97  1.0
  Y  Y1  1  0.86  0.0  0.03  1.0
  Tl  Tl2  1  0.89  0.48  0.62  1.0
  Ga  Ga3  1  0.95  0.0  0.3  1.0

Y Y Tl Ga
Y Y Tl Ga 0 3 o o o 0 1 o o - 1 2 o o o 