data_YZnGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35
_cell_length_b   5.35
_cell_length_c   5.35
_cell_angle_alpha   133.28
_cell_angle_beta   133.28
_cell_angle_gamma   68.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnGa2
_chemical_formula_sum   'Y1 Zn1 Ga2'
_cell_volume   79.55
_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  Y2  1  0.0  0.12  0.21  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.12  0.0  0.21  1.0
  Ga  Ga1  1  0.0  0.0  0.43  1.0

data_YZnGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.35
_cell_angle_alpha   113.36
_cell_angle_beta   113.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZnGa2
_chemical_formula_sum   'Y1 Zn1 Ga2'
_cell_volume   79.55
_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  0.91  0.12  0.91  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.57  0.0  0.57  1.0
  Ga  Ga3  1  0.79  0.0  0.91  1.0

Y Zn Ga Ga
Y Zn Ga Ga 0 1 o o o 0 2 o o o 0 3 o o o 1 2 o o o 2 3 o o o 