data_InNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.47
_cell_angle_alpha   102.5
_cell_angle_beta   102.5
_cell_angle_gamma   36.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi3
_chemical_formula_sum   'In1 Ni3'
_cell_volume   52.65
_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  0.77  0.0  0.17  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.4  0.0  0.37  1.0
  Ni  Ni3  1  0.14  0.0  0.98  1.0

data_InNi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.47
_cell_length_c   4.51
_cell_angle_alpha   102.5
_cell_angle_beta   108.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi3
_chemical_formula_sum   'In1 Ni3'
_cell_volume   52.65
_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  0.0  0.17  0.77  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.37  0.4  1.0
  Ni  Ni3  1  0.0  0.98  0.14  1.0

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