data_YTaGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   8.61
_cell_angle_alpha   22.59
_cell_angle_beta   22.59
_cell_angle_gamma   22.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTaGa2
_chemical_formula_sum   'Y1 Ta1 Ga2'
_cell_volume   82.57
_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  Y3  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.0  0.0  0.58  1.0
  Ga  Ga0  1  0.0  0.0  0.12  1.0
  Ga  Ga1  1  0.0  0.0  0.04  1.0

data_YTaGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.84
_cell_length_b   3.37
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   103.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YTaGa2
_chemical_formula_sum   'Y2 Ta2 Ga4'
_cell_volume   165.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  -0.0  0.0  0.42  1.0
  Ga  Ga2  2  -0.0  0.0  0.88  1.0
  Ga  Ga3  2  -0.0  0.0  0.96  1.0

Y Ta Ga Ga
Y Ta Ga Ga 0 3 o o o 0 1 o o - 1 1 o + - 1 1 + - o 1 1 + o - 1 2 o o o 1 3 o o + 2 3 o o o 