data_YZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.95
_cell_length_c   4.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   152.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr
_chemical_formula_sum   'Y2 Zr2'
_cell_volume   108.14
_cell_formula_units_Z   2
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  0.64  0.26  0.22  1.0
  Y  Y1  1  0.64  0.74  0.65  1.0
  Zr  Zr2  1  0.64  0.38  0.22  1.0
  Zr  Zr3  1  0.64  0.62  0.65  1.0

data_YZr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.29
_cell_length_b   4.87
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   103.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YZr
_chemical_formula_sum   'Y2 Zr2'
_cell_volume   108.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.26  0.72  0.26  1.0
  Zr  Zr1  2  0.38  0.72  0.38  1.0

Y Y Zr Zr