data_YZr2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   132.28
_cell_angle_beta   132.28
_cell_angle_gamma   69.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Zn
_chemical_formula_sum   'Y1 Zr2 Zn1'
_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
  Y  Y0  1  0.23  0.0  0.26  1.0
  Zr  Zr2  1  0.0  0.23  0.26  1.0
  Zr  Zr3  1  0.0  0.0  0.52  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0

data_YZr2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   5.51
_cell_angle_alpha   113.86
_cell_angle_beta   113.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Zn
_chemical_formula_sum   'Y1 Zr2 Zn1'
_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
  Y  Y0  1  0.74  0.0  0.97  1.0
  Zr  Zr1  1  0.48  0.0  0.48  1.0
  Zr  Zr2  1  0.97  0.23  0.97  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0

Y Zr Zr Zn