data_YTa2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Ga
_chemical_formula_sum   'Y1 Ta2 Ga1'
_cell_volume   80.42
_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  0.93  0.0  0.0  1.0
  Ta  Ta1  1  0.47  0.33  0.47  1.0
  Ta  Ta2  1  0.47  0.67  0.47  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_YTa2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   115.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTa2Ga
_chemical_formula_sum   'Y1 Ta2 Ga1'
_cell_volume   80.42
_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  0.0  0.93  0.0  1.0
  Ta  Ta1  1  0.47  0.47  0.67  1.0
  Ta  Ta2  1  0.47  0.47  0.33  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

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