data_YGa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   135.68
_cell_angle_beta   135.68
_cell_angle_gamma   64.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Si
_chemical_formula_sum   'Y1 Ga2 Si1'
_cell_volume   76.22
_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  0.04  0.0  0.29  1.0
  Ga  Ga0  1  0.0  0.0  0.58  1.0
  Ga  Ga1  1  0.0  0.04  0.29  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_YGa2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.41
_cell_angle_alpha   112.16
_cell_angle_beta   112.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2Si
_chemical_formula_sum   'Y1 Ga2 Si1'
_cell_volume   76.22
_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  0.29  0.25  0.25  1.0
  Ga  Ga1  1  0.25  0.29  0.25  1.0
  Ga  Ga2  1  0.58  0.58  0.58  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Y Ga Ga Si
Y Ga Ga Si 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 