data_YZr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.07
_cell_angle_alpha   115.1
_cell_angle_beta   115.1
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Ni
_chemical_formula_sum   'Y1 Zr2 Ni1'
_cell_volume   87.37
_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  Y1  1  0.24  0.0  0.24  1.0
  Zr  Zr2  1  0.95  0.0  0.47  1.0
  Zr  Zr3  1  0.71  0.0  0.14  1.0
  Ni  Ni0  1  0.51  0.0  0.49  1.0

data_YZr2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.07
_cell_length_c   5.86
_cell_angle_alpha   115.1
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZr2Ni
_chemical_formula_sum   'Y1 Zr2 Ni1'
_cell_volume   87.37
_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  0.24  0.24  1.0
  Zr  Zr1  1  0.0  0.14  0.71  1.0
  Zr  Zr2  1  0.0  0.47  0.95  1.0
  Ni  Ni3  1  0.0  0.49  0.51  1.0

Y Zr Zr Ni