data_YCuNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.16
_cell_angle_alpha   111.03
_cell_angle_beta   111.03
_cell_angle_gamma   47.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuNi2
_chemical_formula_sum   'Y1 Cu1 Ni2'
_cell_volume   61.2
_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  0.46  0.0  0.91  1.0
  Cu  Cu0  1  0.93  0.0  0.09  1.0
  Ni  Ni1  1  0.01  0.0  0.0  1.0
  Ni  Ni2  1  0.98  0.0  0.74  1.0

data_YCuNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   4.16
_cell_length_c   4.67
_cell_angle_alpha   111.03
_cell_angle_beta   113.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YCuNi2
_chemical_formula_sum   'Y1 Cu1 Ni2'
_cell_volume   61.2
_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  0.91  0.46  1.0
  Cu  Cu1  1  0.0  0.09  0.93  1.0
  Ni  Ni2  1  0.0  0.0  0.01  1.0
  Ni  Ni3  1  0.0  0.74  0.98  1.0

Y Cu Ni Ni