data_Y4Zn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Zn3
_chemical_formula_sum   'Y4 Zn3'
_cell_volume   169.16
_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  0.0  0.0  0.58  1.0
  Y  Y1  1  0.0  0.0  0.6  1.0
  Y  Y2  1  0.0  0.25  0.0  1.0
  Y  Y3  1  0.81  0.62  0.0  1.0
  Zn  Zn4  1  0.81  0.0  0.09  1.0
  Zn  Zn5  1  0.59  0.44  0.09  1.0
  Zn  Zn6  1  0.41  0.44  0.09  1.0

data_Y4Zn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.63
_cell_length_b   5.63
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Zn3
_chemical_formula_sum   'Y4 Zn3'
_cell_volume   169.16
_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  0.0  0.0  0.58  1.0
  Y  Y1  1  0.0  0.0  0.6  1.0
  Y  Y2  1  0.0  0.25  0.0  1.0
  Y  Y3  1  0.81  0.62  0.0  1.0
  Zn  Zn4  1  0.41  0.44  0.09  1.0
  Zn  Zn5  1  0.59  0.44  0.09  1.0
  Zn  Zn6  1  0.81  0.0  0.09  1.0

Y Y Y Y Zn Zn Zn
Y Y Y Y Zn Zn Zn 0 1 o o o 2 4 - o o 3 5 o o o 5 6 o o o 