data_InNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.42
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InNi2Ag
_chemical_formula_sum   'In1 Ni2 Ag1'
_cell_volume   60.0
_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  0.48  0.21  0.78  1.0
  Ni  Ni2  1  0.0  0.0  0.28  1.0
  Ni  Ni3  1  0.0  0.21  0.14  1.0
  Ag  Ag0  1  0.48  0.0  0.65  1.0

data_InNi2Ag
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.42
_cell_length_b   2.97
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InNi2Ag
_chemical_formula_sum   'In1 Ni2 Ag1'
_cell_volume   60.0
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.21  0.5  0.78  1.0
  Ni  Ni1  1  0.0  0.0  0.28  1.0
  Ni  Ni2  1  0.21  0.0  0.14  1.0
  Ag  Ag3  1  0.0  0.5  0.65  1.0

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