data_YSiNi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiNi4
_chemical_formula_sum   'Y1 Si1 Ni4'
_cell_volume   82.85
_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  0.55  0.0  0.97  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.55  0.19  0.97  1.0
  Ni  Ni3  1  0.55  0.81  0.97  1.0
  Ni  Ni4  1  0.28  0.06  0.0  1.0
  Ni  Ni5  1  0.28  0.94  0.0  1.0

data_YSiNi4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   4.84
_cell_length_c   4.84
_cell_angle_alpha   116.39
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSiNi4
_chemical_formula_sum   'Y1 Si1 Ni4'
_cell_volume   82.85
_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  0.97  0.55  0.0  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.28  0.06  1.0
  Ni  Ni3  1  0.0  0.28  0.94  1.0
  Ni  Ni4  1  0.97  0.55  0.19  1.0
  Ni  Ni5  1  0.97  0.55  0.81  1.0

Y Si Ni Ni Ni Ni
Y Si Ni Ni Ni Ni 0 2 o o o 0 3 o - o 1 5 o - o 1 4 o o o 4 5 o - o 