data_InNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   121.38
_cell_angle_beta   121.38
_cell_angle_gamma   87.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi2Sb
_chemical_formula_sum   'In1 Ni2 Sb1'
_cell_volume   65.53
_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  0.0  0.0  1.0
  Ni  Ni1  1  0.23  0.0  0.64  1.0
  Ni  Ni2  1  0.0  0.23  0.64  1.0
  Sb  Sb3  1  0.0  0.0  0.29  1.0

data_InNi2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   4.56
_cell_angle_alpha   90.0
_cell_angle_beta   133.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InNi2Sb
_chemical_formula_sum   'In2 Ni4 Sb2'
_cell_volume   131.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ni  Ni1  4  0.38  0.38  0.41  1.0
  Sb  Sb2  2  0.0  0.0  0.29  1.0

In Ni Ni Sb
In Ni Ni Sb 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 