data_Na2YZn
_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   122.91
_cell_angle_beta   122.91
_cell_angle_gamma   85.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YZn
_chemical_formula_sum   'Na2 Y1 Zn1'
_cell_volume   102.82
_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  0.55  0.97  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  Y  Y2  1  0.55  0.0  0.97  1.0
  Zn  Zn3  1  0.0  0.0  0.94  1.0

data_Na2YZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.35
_cell_angle_alpha   118.55
_cell_angle_beta   118.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2YZn
_chemical_formula_sum   'Na2 Y1 Zn1'
_cell_volume   102.82
_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
  Na  Na1  1  0.58  0.55  0.58  1.0
  Y  Y2  1  0.03  0.0  0.58  1.0
  Zn  Zn3  1  0.06  0.0  0.06  1.0

Na Na Y Zn
Na Na Y Zn 0 1 o + + 0 3 o + o 1 3 o o - 1 2 - o - 2 3 + o o 