data_NaYGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   132.55
_cell_angle_beta   132.55
_cell_angle_gamma   69.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYGa2
_chemical_formula_sum   'Na1 Y1 Ga2'
_cell_volume   89.85
_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
  Na  Na2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.22  0.0  0.27  1.0
  Ga  Ga0  1  0.0  0.0  0.54  1.0
  Ga  Ga1  1  0.0  0.22  0.27  1.0

data_NaYGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   5.53
_cell_angle_alpha   113.73
_cell_angle_beta   113.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaYGa2
_chemical_formula_sum   'Na1 Y1 Ga2'
_cell_volume   89.85
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.27  0.05  0.05  1.0
  Ga  Ga2  1  0.05  0.27  0.05  1.0
  Ga  Ga3  1  0.54  0.54  0.54  1.0

Na Y Ga Ga
Na Y Ga Ga 0 3 o o o 0 1 o o o 0 2 o o - 1 2 o o o 2 3 o o o 