data_InNiAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.38
_cell_length_b   9.38
_cell_length_c   9.38
_cell_angle_alpha   18.27
_cell_angle_beta   18.27
_cell_angle_gamma   18.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNiAg2
_chemical_formula_sum   'In1 Ni1 Ag2'
_cell_volume   70.81
_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  0.0  0.83  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.14  1.0
  Ag  Ag1  1  0.0  0.0  0.52  1.0

data_InNiAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.16
_cell_length_b   2.98
_cell_length_c   9.38
_cell_angle_alpha   90.0
_cell_angle_beta   100.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InNiAg2
_chemical_formula_sum   'In2 Ni2 Ag4'
_cell_volume   141.62
_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  0.17  1.0
  Ni  Ni1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  -0.0  0.0  0.48  1.0
  Ag  Ag3  2  -0.0  0.0  0.86  1.0

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