data_TiNi2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiNi2Ag
_chemical_formula_sum   'Ti1 Ni2 Ag1'
_cell_volume   55.34
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.98  0.0  0.1  1.0
  Ni  Ni2  1  0.98  0.0  0.48  1.0
  Ag  Ag0  1  0.0  0.0  0.29  1.0

data_TiNi2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.25
_cell_length_b   3.96
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiNi2Ag
_chemical_formula_sum   'Ti2 Ni4 Ag2'
_cell_volume   110.69
_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, -y, z'
  4  '-x, y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  'x+1/2, -y+1/2, z'
  8  '-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
  Ti  Ti0  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.49  0.5  0.1  1.0
  Ni  Ni2  2  0.49  0.5  0.48  1.0
  Ag  Ag3  2  0.0  0.0  0.29  1.0

Ti Ni Ni Ag