data_YMg2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Ga
_chemical_formula_sum   'Y1 Mg2 Ga1'
_cell_volume   92.75
_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  0.14  1.0
  Mg  Mg1  1  0.34  0.0  0.73  1.0
  Mg  Mg2  1  0.34  0.0  0.54  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_YMg2Ga
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YMg2Ga
_chemical_formula_sum   'Y1 Mg2 Ga1'
_cell_volume   92.78
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.14  1.0
  Mg  Mg1  1  0.34  0.0  0.54  1.0
  Mg  Mg2  1  0.34  0.0  0.73  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Y Mg Mg Ga
Y Mg Mg Ga 0 3 o o o 1 2 o o o 