data_YMgGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   4.99
_cell_angle_alpha   122.81
_cell_angle_beta   122.81
_cell_angle_gamma   85.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgGa2
_chemical_formula_sum   'Y1 Mg1 Ga2'
_cell_volume   84.0
_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  0.68  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.39  0.84  1.0
  Ga  Ga1  1  0.39  0.0  0.84  1.0

data_YMgGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   132.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMgGa2
_chemical_formula_sum   'Y2 Mg2 Ga4'
_cell_volume   168.01
_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  0.68  1.0
  Mg  Mg1  2  0.0  0.0  0.0  1.0
  Ga  Ga2  4  0.3  0.3  0.45  1.0

Y Mg Ga Ga