data_YZn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   136.79
_cell_angle_beta   124.73
_cell_angle_gamma   72.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn3
_chemical_formula_sum   'Y1 Zn3'
_cell_volume   76.17
_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  0.17  1.0
  Zn  Zn1  1  0.0  0.4  0.29  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.9  0.0  0.88  1.0

data_YZn3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   4.8
_cell_length_c   5.17
_cell_angle_alpha   117.64
_cell_angle_beta   111.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZn3
_chemical_formula_sum   'Y1 Zn3'
_cell_volume   76.17
_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  0.83  0.83  0.83  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.03  0.12  0.03  1.0
  Zn  Zn3  1  0.71  0.11  0.11  1.0

Y Zn Zn Zn