data_Y2Ni3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.24
_cell_length_b   7.24
_cell_length_c   7.24
_cell_angle_alpha   32.0
_cell_angle_beta   32.0
_cell_angle_gamma   32.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2Ni3
_chemical_formula_sum   'Y2 Ni3'
_cell_volume   94.88
_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  0.0  0.0  0.45  1.0
  Y  Y4  1  0.0  0.0  0.16  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.36  1.0
  Ni  Ni2  1  0.0  0.0  0.24  1.0

data_Y2Ni3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   3.99
_cell_length_c   7.24
_cell_angle_alpha   90.0
_cell_angle_beta   108.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2Ni3
_chemical_formula_sum   'Y4 Ni6'
_cell_volume   189.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  -0.0  0.0  0.55  1.0
  Y  Y1  2  -0.0  0.0  0.84  1.0
  Ni  Ni2  2  -0.0  0.0  0.0  1.0
  Ni  Ni3  2  -0.0  0.0  0.64  1.0
  Ni  Ni4  2  -0.0  0.0  0.76  1.0

Y Y Ni Ni Ni
Y Y Ni Ni Ni 0 3 o o o 1 4 o o o 1 2 o o o 