data_InSiNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiNi
_chemical_formula_sum   'In1 Si1 Ni1'
_cell_volume   49.67
_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
  In  In0  1  0.55  0.89  0.11  1.0
  Si  Si2  1  0.0  0.0  0.65  1.0
  Ni  Ni1  1  0.0  0.79  0.21  1.0

data_InSiNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiNi
_chemical_formula_sum   'In1 Si1 Ni1'
_cell_volume   49.67
_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
  In  In0  1  0.55  0.89  0.11  1.0
  Si  Si1  1  0.0  0.0  0.65  1.0
  Ni  Ni2  1  0.0  0.79  0.21  1.0

In Si Ni
In Si Ni 0 2 o o o 0 2 + o o 0 1 + + o 0 1 + + - 0 1 o + - 1 1 + + o 1 1 o + o 1 1 + o o 1 2 o o o 1 2 o - o 1 2 o - + 