data_InCu2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   130.08
_cell_angle_beta   130.08
_cell_angle_gamma   73.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2Ni
_chemical_formula_sum   'In1 Cu2 Ni1'
_cell_volume   55.35
_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  In2  1  0.0  0.94  0.84  1.0
  Cu  Cu0  1  0.94  0.0  0.84  1.0
  Cu  Cu1  1  0.0  0.0  0.68  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_InCu2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   4.59
_cell_angle_alpha   114.96
_cell_angle_beta   114.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2Ni
_chemical_formula_sum   'In1 Cu2 Ni1'
_cell_volume   55.35
_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  0.1  0.94  0.1  1.0
  Cu  Cu1  1  0.16  0.0  0.1  1.0
  Cu  Cu2  1  0.32  0.0  0.32  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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