data_In2NiBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.94
_cell_angle_alpha   152.62
_cell_angle_beta   141.72
_cell_angle_gamma   47.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiBi
_chemical_formula_sum   'In2 Ni1 Bi1'
_cell_volume   94.97
_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  In1  1  0.0  0.28  0.99  1.0
  In  In2  1  0.64  0.0  0.36  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.35  1.0

data_In2NiBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.55
_cell_length_c   6.94
_cell_angle_alpha   109.14
_cell_angle_beta   103.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2NiBi
_chemical_formula_sum   'In2 Ni1 Bi1'
_cell_volume   94.97
_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  0.01  0.28  0.28  1.0
  In  In1  1  0.29  0.64  0.29  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.65  0.65  0.65  1.0

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