data_NiAg2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   20.38
_cell_angle_beta   20.38
_cell_angle_gamma   20.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAg2Sn
_chemical_formula_sum   'Ni1 Ag2 Sn1'
_cell_volume   71.81
_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
  Ni  Ni2  1  0.0  0.0  0.93  1.0
  Ag  Ag0  1  0.0  0.0  0.04  1.0
  Ag  Ag1  1  0.0  0.0  0.52  1.0
  Sn  Sn3  1  0.0  0.0  0.18  1.0

data_NiAg2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.38
_cell_length_b   3.11
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   101.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiAg2Sn
_chemical_formula_sum   'Ni2 Ag4 Sn2'
_cell_volume   143.61
_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
  Ni  Ni0  2  0.0  0.0  0.07  1.0
  Ag  Ag1  2  0.0  0.0  0.48  1.0
  Ag  Ag2  2  0.0  0.0  0.96  1.0
  Sn  Sn3  2  0.0  0.0  0.82  1.0

Ni Ag Ag Sn