data_YCuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   134.7
_cell_angle_beta   132.61
_cell_angle_gamma   67.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuNi2
_chemical_formula_sum   'Y1 Cu1 Ni2'
_cell_volume   59.7
_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  Y3  1  0.88  0.0  0.04  1.0
  Cu  Cu0  1  0.0  0.0  0.11  1.0
  Ni  Ni1  1  0.88  0.0  0.03  1.0
  Ni  Ni2  1  0.0  0.0  0.98  1.0

data_YCuNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   3.92
_cell_length_c   4.88
_cell_angle_alpha   113.7
_cell_angle_beta   112.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuNi2
_chemical_formula_sum   'Y1 Cu1 Ni2'
_cell_volume   59.7
_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  0.84  0.96  0.84  1.0
  Cu  Cu1  1  0.89  0.89  0.89  1.0
  Ni  Ni2  1  0.02  0.02  0.02  1.0
  Ni  Ni3  1  0.85  0.97  0.85  1.0

Y Cu Ni Ni
Y Cu Ni Ni 0 2 o o o 0 1 + o o 1 2 - o o 1 3 o o - 